 Entering Gaussian System, Link 0=g16
 Input=34_Cutfc2_180_STD_M11-def2SVPDr.in
 Output=34_Cutfc2_180_STD_M11-def2SVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_def2SVPD/34_Cutfc2_180_STD/Gau-209543.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_def2SVPD/34_Cutfc2_180_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    209544.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                27-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=56GB
 %chk=34_Cutfc2_180_STD_M11-def2SVPDr
 ----------------------------------------------------------------------
 #P M11/Gen Integral=(Acc2E=11,UltraFineGrid) SCF=(XQC,NoSymm,MaxCyc=12
 0) Polar=ROA Guess=Read Geom=Check CPHF=(MaxInv=10000,RdFreq)
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,27=11,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,8=3,13=1,38=6,87=11,98=1/2,8;
 8/6=4,10=90,11=11,87=11/1;
 10/11=10000,13=10,49=112,72=3,87=11/2;
 6/7=2,8=2,9=2,10=2,28=1,87=11/1;
 7/8=1,25=21,87=11/16;
 99/5=1/99;
 Leave Link    1 at Fri Aug 27 16:18:31 2021, MaxMem=  7516192768 cpu:               1.4 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA Calculations.
 -----------------
 Structure from the checkpoint file:  "34_Cutfc2_180_STD_M11-def2SVPDr.chk"
 Charge =  0 Multiplicity = 2
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 5.099189000000      0.440206000000     -1.428409000000
  C                                                 4.731367000000     -0.240607000000     -0.085627000000
  C                                                 3.223966000000     -0.413575000000     -0.107245000000
  C                                                 2.685578000000      0.888598000000      0.050956000000
  C                                                 3.857708000000      1.846944000000      0.170466000000
  C                                                 4.459164000000      1.846107000000     -1.275796000000
  C                                                 4.878568000000      0.930415000000      0.934933000000
  O                                                 1.485437000000      1.253491000000      0.059935000000
  Cu                                                0.000100000000      0.000628000000     -0.111188000000
  O                                                 1.155806000000     -1.546914000000     -0.283129000000
  C                                                 2.427016000000     -1.519432000000     -0.275967000000
  C                                                 3.097988000000     -2.895910000000     -0.446361000000
  F                                                 3.746500000000     -3.253326000000      0.684028000000
  C                                                 3.525621000000      3.209255000000      0.729727000000
  C                                                 6.288600000000      1.512264000000      1.023048000000
  C                                                 4.431398000000      0.565329000000      2.351712000000
  O                                                -1.484776000000     -1.252395000000      0.062240000000
  C                                                -2.685073000000     -0.888091000000      0.052533000000
  C                                                -3.856654000000     -1.847121000000      0.171372000000
  C                                                -4.879081000000     -0.931125000000      0.934122000000
  C                                                -4.731450000000      0.239700000000     -0.086568000000
  C                                                -3.224067000000      0.413721000000     -0.106548000000
  C                                                -5.096948000000     -0.441777000000     -1.429742000000
  C                                                -4.456232000000     -1.847217000000     -1.275752000000
  C                                                -4.434200000000     -0.565116000000      2.351407000000
  C                                                -6.288814000000     -1.513979000000      1.020449000000
  C                                                -3.524139000000     -3.208880000000      0.731602000000
  C                                                -2.427505000000      1.519898000000     -0.275246000000
  C                                                -3.098928000000      2.896075000000     -0.446098000000
  F                                                -3.748035000000      3.253436000000      0.683949000000
  O                                                -1.156290000000      1.547906000000     -0.282123000000
  F                                                -4.015383000000      2.869040000000     -1.437941000000
  F                                                -2.221369000000      3.854951000000     -0.731289000000
  F                                                 2.220196000000     -3.854504000000     -0.731746000000
  F                                                 4.014874000000     -2.869434000000     -1.437825000000
  H                                                -5.193611000000     -2.645511000000     -1.356540000000
  H                                                -3.684327000000     -2.048367000000     -2.018226000000
  H                                                -6.176309000000     -0.504616000000     -1.564390000000
  H                                                -4.693640000000      0.114211000000     -2.273497000000
  H                                                -5.304693000000      1.133517000000      0.143304000000
  H                                                -3.427207000000     -0.151786000000      2.387118000000
  H                                                -4.460809000000     -1.442475000000      3.000035000000
  H                                                -5.110963000000      0.178663000000      2.776572000000
  H                                                -6.681562000000     -1.855923000000      0.066139000000
  H                                                -6.976490000000     -0.760930000000      1.411632000000
  H                                                -6.307299000000     -2.360780000000      1.708786000000
  H                                                -2.775352000000     -3.706325000000      0.114374000000
  H                                                -4.414073000000     -3.839066000000      0.763825000000
  H                                                -3.117149000000     -3.135162000000      1.740847000000
  H                                                 4.455851000000      1.443442000000      2.999407000000
  H                                                 3.424754000000      0.151031000000      2.385787000000
  H                                                 5.108062000000     -0.177342000000      2.778949000000
  H                                                 6.306680000000      2.359398000000      1.710998000000
  H                                                 6.975033000000      0.758853000000      1.415687000000
  H                                                 6.683210000000      1.853370000000      0.069195000000
  H                                                 6.178793000000      0.502379000000     -1.561409000000
  H                                                 4.696804000000     -0.115850000000     -2.272564000000
  H                                                 3.688368000000      2.047471000000     -2.019358000000
  H                                                 5.197113000000      2.643970000000     -1.355751000000
  H                                                 5.303585000000     -1.134834000000      0.145257000000
  H                                                 4.416122000000      3.838641000000      0.762925000000
  H                                                 2.778203000000      3.707158000000      0.111199000000
  H                                                 3.117094000000      3.136380000000      1.738400000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1
 NAtoms=     63 NQM=       63 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          16          63          16
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  62.9295992  15.9949146
 NucSpn=           0           0           0           0           0           0           0           0           3           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000  25.5200000   5.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000 -22.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.2233000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000  29.0000000   8.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          19          12          12          12          16          12          12          12
 AtmWgt=  12.0000000  12.0000000  18.9984033  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           1           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   6.7500000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   2.6288670   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   9.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   6.0000000   6.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=          12          12          12          12          12          12          12          12          12          19
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  18.9984033
 NucSpn=           0           0           0           0           0           0           0           0           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   6.7500000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.6288670
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   9.0000000

  Atom        31          32          33          34          35          36          37          38          39          40
 IAtWgt=          16          19          19          19          19           1           1           1           1           1
 AtmWgt=  15.9949146  18.9984033  18.9984033  18.9984033  18.9984033   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           1           1           1           1           1           1           1           1           1
 AtZEff=   5.6000000   6.7500000   6.7500000   6.7500000   6.7500000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   2.6288670   2.6288670   2.6288670   2.6288670   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   8.0000000   9.0000000   9.0000000   9.0000000   9.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        41          42          43          44          45          46          47          48          49          50
 IAtWgt=           1           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        51          52          53          54          55          56          57          58          59          60
 IAtWgt=           1           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        61          62          63
 IAtWgt=           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Fri Aug 27 16:18:31 2021, MaxMem=  7516192768 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
 Stoichiometry    C24H28CuF6O4(2)
 Framework group  C1[X(C24H28CuF6O4)]
 Deg. of freedom   183
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 4.59D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        5.099189    0.440206   -1.428409
      2          6           0        4.731367   -0.240607   -0.085627
      3          6           0        3.223966   -0.413575   -0.107245
      4          6           0        2.685578    0.888598    0.050956
      5          6           0        3.857708    1.846944    0.170466
      6          6           0        4.459164    1.846107   -1.275796
      7          6           0        4.878568    0.930415    0.934933
      8          8           0        1.485437    1.253491    0.059935
      9         29           0        0.000100    0.000628   -0.111188
     10          8           0        1.155806   -1.546914   -0.283129
     11          6           0        2.427016   -1.519432   -0.275967
     12          6           0        3.097988   -2.895910   -0.446361
     13          9           0        3.746500   -3.253326    0.684028
     14          6           0        3.525621    3.209255    0.729727
     15          6           0        6.288600    1.512264    1.023048
     16          6           0        4.431398    0.565329    2.351712
     17          8           0       -1.484776   -1.252395    0.062240
     18          6           0       -2.685073   -0.888091    0.052533
     19          6           0       -3.856654   -1.847121    0.171372
     20          6           0       -4.879081   -0.931125    0.934122
     21          6           0       -4.731450    0.239700   -0.086568
     22          6           0       -3.224067    0.413721   -0.106548
     23          6           0       -5.096948   -0.441777   -1.429742
     24          6           0       -4.456232   -1.847217   -1.275752
     25          6           0       -4.434200   -0.565116    2.351407
     26          6           0       -6.288814   -1.513979    1.020449
     27          6           0       -3.524139   -3.208880    0.731602
     28          6           0       -2.427505    1.519898   -0.275246
     29          6           0       -3.098928    2.896075   -0.446098
     30          9           0       -3.748035    3.253436    0.683949
     31          8           0       -1.156290    1.547906   -0.282123
     32          9           0       -4.015383    2.869040   -1.437941
     33          9           0       -2.221369    3.854951   -0.731289
     34          9           0        2.220196   -3.854504   -0.731746
     35          9           0        4.014874   -2.869434   -1.437825
     36          1           0       -5.193611   -2.645511   -1.356540
     37          1           0       -3.684327   -2.048367   -2.018226
     38          1           0       -6.176309   -0.504616   -1.564390
     39          1           0       -4.693640    0.114211   -2.273497
     40          1           0       -5.304693    1.133517    0.143304
     41          1           0       -3.427207   -0.151786    2.387118
     42          1           0       -4.460809   -1.442475    3.000035
     43          1           0       -5.110963    0.178663    2.776572
     44          1           0       -6.681562   -1.855923    0.066139
     45          1           0       -6.976490   -0.760930    1.411632
     46          1           0       -6.307299   -2.360780    1.708786
     47          1           0       -2.775352   -3.706325    0.114374
     48          1           0       -4.414073   -3.839066    0.763825
     49          1           0       -3.117149   -3.135162    1.740847
     50          1           0        4.455851    1.443442    2.999407
     51          1           0        3.424754    0.151031    2.385787
     52          1           0        5.108062   -0.177342    2.778949
     53          1           0        6.306680    2.359398    1.710998
     54          1           0        6.975033    0.758853    1.415687
     55          1           0        6.683210    1.853370    0.069195
     56          1           0        6.178793    0.502379   -1.561409
     57          1           0        4.696804   -0.115850   -2.272564
     58          1           0        3.688368    2.047471   -2.019358
     59          1           0        5.197113    2.643970   -1.355751
     60          1           0        5.303585   -1.134834    0.145257
     61          1           0        4.416122    3.838641    0.762925
     62          1           0        2.778203    3.707158    0.111199
     63          1           0        3.117094    3.136380    1.738400
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.1806786           0.0651713           0.0528734
 Leave Link  202 at Fri Aug 27 16:18:31 2021, MaxMem=  7516192768 cpu:               0.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      36     37     38     39     40     41     42     43     44     45
 Centers:      46     47     48     49     50     51     52     53     54     55
 Centers:      56     57     58     59     60     61     62     63
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7     11     12     14
 Centers:      15     16     18     19     20     21     22     23     24     25
 Centers:      26     27     28     29
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       8     10     17     31
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      13     30     32     33     34     35
 S 5 1.00
     Exponent=  2.8948325990D+03 Coefficients= -5.3408255515D-03
     Exponent=  4.3541939120D+02 Coefficients= -3.9904258866D-02
     Exponent=  9.8843328866D+01 Coefficients= -1.7912768038D-01
     Exponent=  2.7485198001D+01 Coefficients= -4.6758090825D-01
     Exponent=  8.5405498171D+00 Coefficients= -4.4653131020D-01
 S 1 1.00
     Exponent=  1.0654578038D+00 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  3.3247346748D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  9.8097752264D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  2.2696633924D+01 Coefficients= -4.5212874436D-02
     Exponent=  4.9872339257D+00 Coefficients= -2.3754317067D-01
     Exponent=  1.3491613954D+00 Coefficients= -5.1287353587D-01
 P 1 1.00
     Exponent=  3.4829881977D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.3372148304D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.4000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  2.2301361948D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       9
 S 6 1.00
     Exponent=  7.6381348056D+04 Coefficients=  1.4336079896D-03
     Exponent=  1.1468777499D+04 Coefficients=  1.0986749865D-02
     Exponent=  2.6094246495D+03 Coefficients=  5.4513652465D-02
     Exponent=  7.3675033098D+02 Coefficients=  1.8990128258D-01
     Exponent=  2.3982419958D+02 Coefficients=  3.8581959211D-01
     Exponent=  8.2656829252D+01 Coefficients=  2.9790607498D-01
 S 3 1.00
     Exponent=  1.6013544196D+02 Coefficients= -1.1146778567D-01
     Exponent=  1.8834177695D+01 Coefficients=  6.5349301031D-01
     Exponent=  7.7176595741D+00 Coefficients=  4.4770534421D-01
 S 3 1.00
     Exponent=  1.3710846717D+01 Coefficients= -2.2870911122D-01
     Exponent=  2.2349895670D+00 Coefficients=  7.3464423031D-01
     Exponent=  8.7818360069D-01 Coefficients=  4.3273070874D-01
 S 1 1.00
     Exponent=  8.7187458064D-02 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  3.2969114665D-02 Coefficients=  1.0000000000D+00
 P 5 1.00
     Exponent=  9.9124075782D+02 Coefficients=  9.3878498798D-03
     Exponent=  2.3369376116D+02 Coefficients=  7.0208282458D-02
     Exponent=  7.4020930927D+01 Coefficients=  2.7323522220D-01
     Exponent=  2.6664967447D+01 Coefficients=  5.3580792728D-01
     Exponent=  9.9192087478D+00 Coefficients=  3.4575794906D-01
 P 3 1.00
     Exponent=  5.1519553926D+00 Coefficients=  3.4229108083D-01
     Exponent=  1.9638205828D+00 Coefficients=  5.6456592484D-01
     Exponent=  7.1560097037D-01 Coefficients=  2.4078584318D-01
 P 1 1.00
     Exponent=  1.5506500000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  3.8734214974D-02 Coefficients=  1.0000000000D+00
 D 4 1.00
     Exponent=  4.7335049590D+01 Coefficients=  3.2375547758D-02
     Exponent=  1.3161666077D+01 Coefficients=  1.6810218684D-01
     Exponent=  4.3693777244D+00 Coefficients=  3.8477707982D-01
     Exponent=  1.4132925109D+00 Coefficients=  4.6147880178D-01
 D 1 1.00
     Exponent=  3.8878001452D-01 Coefficients=  3.2388873258D-01
 F 1 1.00
     Exponent=  2.2330000000D+00 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are  1041 symmetry adapted cartesian basis functions of A   symmetry.
 There are   968 symmetry adapted basis functions of A   symmetry.
   968 basis functions,  1482 primitive gaussians,  1041 cartesian basis functions
   144 alpha electrons      143 beta electrons
       nuclear repulsion energy      4927.4744946401 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   63 NActive=   63 NUniq=   63 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Fri Aug 27 16:18:32 2021, MaxMem=  7516192768 cpu:               7.0 elap:               1.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   968 RedAO= T EigKep=  1.03D-06  NBF=   968
 NBsUse=   968 1.00D-06 EigRej= -1.00D+00 NBFU=   968
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 1.00D-11.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=  1011  1011  1011  1011  1011 MxSgAt=    63 MxSgA2=    63.
 Leave Link  302 at Fri Aug 27 16:18:35 2021, MaxMem=  7516192768 cpu:              20.8 elap:               2.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Aug 27 16:18:36 2021, MaxMem=  7516192768 cpu:               4.9 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "34_Cutfc2_180_STD_M11-def2SVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000   -0.000000
         Rot=    1.000000    0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Initial guess <Sx>= 0.0000 <Sy>= 0.0000 <Sz>= 0.5000 <S**2>= 0.7525 S= 0.5012
 Leave Link  401 at Fri Aug 27 16:18:44 2021, MaxMem=  7516192768 cpu:              54.9 elap:               7.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 UHF open shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  7516192768 LenX=  7514007333 LenY=  7512922611
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=T IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FMM levels:  10  Number of levels for PrismC:   9
 E= -3469.42329086695    
 DIIS: error= 2.59D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -3469.42329086695     IErMin= 1 ErrMin= 2.59D-03
 ErrMax= 2.59D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.57D-01 BMatP= 1.57D-01
 IDIUse=3 WtCom= 9.74D-01 WtEn= 2.59D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.332 Goal=   None    Shift=    0.000
 Gap=     0.310 Goal=   None    Shift=    0.000
 GapD=    0.310 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=1.11D-02 MaxDP=2.49D+00              OVMax= 6.12D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  8.96D-03    CP:  8.92D-01
 E= -3469.46555499811     Delta-E=       -0.042264131156 Rises=F Damp=F
 DIIS: error= 1.28D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -3469.46555499811     IErMin= 2 ErrMin= 1.28D-03
 ErrMax= 1.28D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.58D-02 BMatP= 1.57D-01
 IDIUse=3 WtCom= 9.87D-01 WtEn= 1.28D-02
 Coeff-Com:  0.746D-01 0.925D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.736D-01 0.926D+00
 Gap=     0.332 Goal=   None    Shift=    0.000
 Gap=     0.287 Goal=   None    Shift=    0.000
 RMSDP=2.00D-03 MaxDP=4.11D-01 DE=-4.23D-02 OVMax= 1.64D-02

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.48D-03    CP:  9.08D-01  1.11D+00
 E= -3469.46741022514     Delta-E=       -0.001855227034 Rises=F Damp=F
 DIIS: error= 2.25D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -3469.46741022514     IErMin= 2 ErrMin= 1.28D-03
 ErrMax= 2.25D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.48D-02 BMatP= 1.58D-02
 IDIUse=3 WtCom= 9.77D-01 WtEn= 2.25D-02
 Coeff-Com: -0.554D-01 0.506D+00 0.549D+00
 Coeff-En:   0.000D+00 0.225D+00 0.775D+00
 Coeff:     -0.542D-01 0.500D+00 0.555D+00
 Gap=     0.333 Goal=   None    Shift=    0.000
 Gap=     0.313 Goal=   None    Shift=    0.000
 RMSDP=7.47D-04 MaxDP=6.56D-02 DE=-1.86D-03 OVMax= 2.35D-02

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  5.58D-04    CP:  9.08D-01  1.14D+00  7.24D-01
 E= -3469.46986971924     Delta-E=       -0.002459494102 Rises=F Damp=F
 DIIS: error= 4.17D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -3469.46986971924     IErMin= 4 ErrMin= 4.17D-04
 ErrMax= 4.17D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.12D-03 BMatP= 1.48D-02
 IDIUse=3 WtCom= 9.96D-01 WtEn= 4.17D-03
 Coeff-Com: -0.223D-01 0.380D-01 0.214D+00 0.770D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.222D-01 0.379D-01 0.213D+00 0.771D+00
 Gap=     0.333 Goal=   None    Shift=    0.000
 Gap=     0.312 Goal=   None    Shift=    0.000
 RMSDP=2.36D-04 MaxDP=3.11D-02 DE=-2.46D-03 OVMax= 7.79D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.34D-04    CP:  9.10D-01  1.14D+00  8.30D-01  9.14D-01
 E= -3469.47022361565     Delta-E=       -0.000353896408 Rises=F Damp=F
 DIIS: error= 3.01D-04 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -3469.47022361565     IErMin= 5 ErrMin= 3.01D-04
 ErrMax= 3.01D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.71D-04 BMatP= 1.12D-03
 IDIUse=3 WtCom= 9.97D-01 WtEn= 3.01D-03
 Coeff-Com:  0.788D-02-0.112D+00-0.253D-01 0.126D+00 0.100D+01
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:      0.786D-02-0.112D+00-0.252D-01 0.126D+00 0.100D+01
 Gap=     0.333 Goal=   None    Shift=    0.000
 Gap=     0.315 Goal=   None    Shift=    0.000
 RMSDP=1.28D-04 MaxDP=1.72D-02 DE=-3.54D-04 OVMax= 9.44D-03

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  5.38D-05    CP:  9.10D-01  1.14D+00  8.82D-01  9.16D-01  1.54D+00
 E= -3469.47037007576     Delta-E=       -0.000146460112 Rises=F Damp=F
 DIIS: error= 1.03D-04 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -3469.47037007576     IErMin= 6 ErrMin= 1.03D-04
 ErrMax= 1.03D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.93D-05 BMatP= 1.71D-04
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.03D-03
 Coeff-Com:  0.733D-02-0.441D-01-0.373D-01-0.226D+00 0.378D+00 0.923D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:      0.732D-02-0.441D-01-0.372D-01-0.226D+00 0.377D+00 0.923D+00
 Gap=     0.333 Goal=   None    Shift=    0.000
 Gap=     0.316 Goal=   None    Shift=    0.000
 RMSDP=1.11D-04 MaxDP=1.47D-02 DE=-1.46D-04 OVMax= 5.31D-03

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  3.51D-05    CP:  9.11D-01  1.14D+00  9.19D-01  8.57D-01  1.90D+00
                    CP:  1.45D+00
 E= -3469.47041242856     Delta-E=       -0.000042352798 Rises=F Damp=F
 DIIS: error= 4.83D-05 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -3469.47041242856     IErMin= 7 ErrMin= 4.83D-05
 ErrMax= 4.83D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.43D-05 BMatP= 7.93D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.737D-03 0.125D-01 0.453D-02-0.144D+00-0.801D-01 0.374D+00
 Coeff-Com:  0.833D+00
 Coeff:      0.737D-03 0.125D-01 0.453D-02-0.144D+00-0.801D-01 0.374D+00
 Coeff:      0.833D+00
 Gap=     0.333 Goal=   None    Shift=    0.000
 Gap=     0.317 Goal=   None    Shift=    0.000
 RMSDP=3.86D-05 MaxDP=4.14D-03 DE=-4.24D-05 OVMax= 2.17D-03

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  2.14D-05    CP:  9.12D-01  1.14D+00  9.34D-01  8.37D-01  2.04D+00
                    CP:  1.55D+00  1.02D+00
 E= -3469.47041985951     Delta-E=       -0.000007430945 Rises=F Damp=F
 DIIS: error= 1.54D-05 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -3469.47041985951     IErMin= 8 ErrMin= 1.54D-05
 ErrMax= 1.54D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.77D-06 BMatP= 1.43D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.780D-03 0.129D-01 0.948D-02-0.401D-01-0.100D+00 0.193D-01
 Coeff-Com:  0.384D+00 0.715D+00
 Coeff:     -0.780D-03 0.129D-01 0.948D-02-0.401D-01-0.100D+00 0.193D-01
 Coeff:      0.384D+00 0.715D+00
 Gap=     0.333 Goal=   None    Shift=    0.000
 Gap=     0.317 Goal=   None    Shift=    0.000
 RMSDP=1.49D-05 MaxDP=1.59D-03 DE=-7.43D-06 OVMax= 7.29D-04

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  6.61D-06    CP:  9.12D-01  1.14D+00  9.38D-01  8.24D-01  2.09D+00
                    CP:  1.58D+00  1.11D+00  1.18D+00
 E= -3469.47042085392     Delta-E=       -0.000000994411 Rises=F Damp=F
 DIIS: error= 5.23D-06 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -3469.47042085392     IErMin= 9 ErrMin= 5.23D-06
 ErrMax= 5.23D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.55D-07 BMatP= 2.77D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.382D-03 0.192D-02 0.292D-02 0.104D-01-0.121D-01-0.568D-01
 Coeff-Com: -0.273D-01 0.227D+00 0.854D+00
 Coeff:     -0.382D-03 0.192D-02 0.292D-02 0.104D-01-0.121D-01-0.568D-01
 Coeff:     -0.273D-01 0.227D+00 0.854D+00
 Gap=     0.333 Goal=   None    Shift=    0.000
 Gap=     0.317 Goal=   None    Shift=    0.000
 RMSDP=4.66D-06 MaxDP=5.10D-04 DE=-9.94D-07 OVMax= 1.40D-04

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  3.34D-06    CP:  9.12D-01  1.14D+00  9.39D-01  8.24D-01  2.08D+00
                    CP:  1.57D+00  1.11D+00  1.29D+00  1.26D+00
 E= -3469.47042097578     Delta-E=       -0.000000121863 Rises=F Damp=F
 DIIS: error= 4.20D-06 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -3469.47042097578     IErMin=10 ErrMin= 4.20D-06
 ErrMax= 4.20D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.65D-08 BMatP= 2.55D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.390D-04-0.122D-02-0.586D-03 0.538D-02 0.113D-01-0.993D-02
 Coeff-Com: -0.487D-01-0.664D-01 0.848D-01 0.103D+01
 Coeff:      0.390D-04-0.122D-02-0.586D-03 0.538D-02 0.113D-01-0.993D-02
 Coeff:     -0.487D-01-0.664D-01 0.848D-01 0.103D+01
 Gap=     0.333 Goal=   None    Shift=    0.000
 Gap=     0.317 Goal=   None    Shift=    0.000
 RMSDP=4.44D-06 MaxDP=5.66D-04 DE=-1.22D-07 OVMax= 8.94D-05

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  2.32D-06    CP:  9.12D-01  1.14D+00  9.40D-01  8.25D-01  2.08D+00
                    CP:  1.55D+00  1.08D+00  1.36D+00  1.45D+00  1.77D+00
 E= -3469.47042100067     Delta-E=       -0.000000024887 Rises=F Damp=F
 DIIS: error= 2.94D-06 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -3469.47042100067     IErMin=11 ErrMin= 2.94D-06
 ErrMax= 2.94D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.62D-08 BMatP= 3.65D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.928D-04-0.873D-03-0.838D-03-0.368D-03 0.714D-02 0.842D-02
 Coeff-Com: -0.125D-01-0.721D-01-0.150D+00 0.414D+00 0.806D+00
 Coeff:      0.928D-04-0.873D-03-0.838D-03-0.368D-03 0.714D-02 0.842D-02
 Coeff:     -0.125D-01-0.721D-01-0.150D+00 0.414D+00 0.806D+00
 Gap=     0.333 Goal=   None    Shift=    0.000
 Gap=     0.317 Goal=   None    Shift=    0.000
 RMSDP=4.25D-06 MaxDP=4.21D-04 DE=-2.49D-08 OVMax= 7.12D-05

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.26D-06    CP:  9.12D-01  1.14D+00  9.40D-01  8.27D-01  2.07D+00
                    CP:  1.54D+00  1.06D+00  1.41D+00  1.58D+00  2.50D+00
                    CP:  1.84D+00
 E= -3469.47042100557     Delta-E=       -0.000000004906 Rises=F Damp=F
 DIIS: error= 2.65D-06 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -3469.47042100557     IErMin=12 ErrMin= 2.65D-06
 ErrMax= 2.65D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.71D-09 BMatP= 1.62D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.762D-05 0.376D-03 0.101D-03-0.169D-02-0.368D-02 0.380D-02
 Coeff-Com:  0.156D-01 0.200D-01-0.364D-01-0.337D+00 0.166D-01 0.132D+01
 Coeff:     -0.762D-05 0.376D-03 0.101D-03-0.169D-02-0.368D-02 0.380D-02
 Coeff:      0.156D-01 0.200D-01-0.364D-01-0.337D+00 0.166D-01 0.132D+01
 Gap=     0.333 Goal=   None    Shift=    0.000
 Gap=     0.317 Goal=   None    Shift=    0.000
 RMSDP=6.88D-06 MaxDP=6.95D-04 DE=-4.91D-09 OVMax= 9.66D-05

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  2.55D-06    CP:  9.12D-01  1.14D+00  9.39D-01  8.30D-01  2.07D+00
                    CP:  1.52D+00  1.01D+00  1.47D+00  1.75D+00  3.00D+00
                    CP:  3.00D+00  2.52D+00
 E= -3469.47042099980     Delta-E=        0.000000005768 Rises=F Damp=F
 DIIS: error= 1.73D-06 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=12 EnMin= -3469.47042100557     IErMin=13 ErrMin= 1.73D-06
 ErrMax= 1.73D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.80D-09 BMatP= 6.71D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.492D-04 0.609D-03 0.450D-03-0.409D-03-0.533D-02-0.251D-02
 Coeff-Com:  0.131D-01 0.447D-01 0.607D-01-0.357D+00-0.429D+00 0.566D+00
 Coeff-Com:  0.111D+01
 Coeff:     -0.492D-04 0.609D-03 0.450D-03-0.409D-03-0.533D-02-0.251D-02
 Coeff:      0.131D-01 0.447D-01 0.607D-01-0.357D+00-0.429D+00 0.566D+00
 Coeff:      0.111D+01
 Gap=     0.333 Goal=   None    Shift=    0.000
 Gap=     0.317 Goal=   None    Shift=    0.000
 RMSDP=9.02D-06 MaxDP=8.73D-04 DE= 5.77D-09 OVMax= 9.59D-05

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  3.60D-06    CP:  9.12D-01  1.14D+00  9.39D-01  8.35D-01  2.05D+00
                    CP:  1.50D+00  9.51D-01  1.55D+00  1.95D+00  3.00D+00
                    CP:  3.00D+00  3.00D+00  3.00D+00
 E= -3469.47042098437     Delta-E=        0.000000015432 Rises=F Damp=F
 DIIS: error= 1.21D-06 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=12 EnMin= -3469.47042100557     IErMin=14 ErrMin= 1.21D-06
 ErrMax= 1.21D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.54D-09 BMatP= 3.80D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.587D-05-0.754D-04 0.312D-04 0.769D-03 0.723D-03-0.239D-02
 Coeff-Com: -0.493D-02-0.193D-02 0.309D-01 0.106D+00-0.100D+00-0.540D+00
 Coeff-Com:  0.203D+00 0.131D+01
 Coeff:     -0.587D-05-0.754D-04 0.312D-04 0.769D-03 0.723D-03-0.239D-02
 Coeff:     -0.493D-02-0.193D-02 0.309D-01 0.106D+00-0.100D+00-0.540D+00
 Coeff:      0.203D+00 0.131D+01
 Gap=     0.333 Goal=   None    Shift=    0.000
 Gap=     0.317 Goal=   None    Shift=    0.000
 RMSDP=1.11D-05 MaxDP=1.04D-03 DE= 1.54D-08 OVMax= 7.89D-05

 Cycle  15  Pass 1  IDiag  1:
 RMSU=  5.47D-06    CP:  9.11D-01  1.14D+00  9.39D-01  8.40D-01  2.04D+00
                    CP:  1.47D+00  8.77D-01  1.65D+00  2.19D+00  3.00D+00
                    CP:  3.00D+00  3.00D+00  3.00D+00  3.00D+00
 E= -3469.47042096176     Delta-E=        0.000000022610 Rises=F Damp=F
 DIIS: error= 6.26D-07 at cycle  15 NSaved=  15.
 NSaved=15 IEnMin=12 EnMin= -3469.47042100557     IErMin=15 ErrMin= 6.26D-07
 ErrMax= 6.26D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.73D-10 BMatP= 1.54D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.202D-04-0.295D-03-0.172D-03 0.466D-03 0.265D-02 0.768D-04
 Coeff-Com: -0.763D-02-0.204D-01-0.151D-01 0.196D+00 0.156D+00-0.437D+00
 Coeff-Com: -0.425D+00 0.464D+00 0.109D+01
 Coeff:      0.202D-04-0.295D-03-0.172D-03 0.466D-03 0.265D-02 0.768D-04
 Coeff:     -0.763D-02-0.204D-01-0.151D-01 0.196D+00 0.156D+00-0.437D+00
 Coeff:     -0.425D+00 0.464D+00 0.109D+01
 Gap=     0.333 Goal=   None    Shift=    0.000
 Gap=     0.317 Goal=   None    Shift=    0.000
 RMSDP=9.40D-06 MaxDP=8.47D-04 DE= 2.26D-08 OVMax= 4.75D-05

 Cycle  16  Pass 1  IDiag  1:
 RMSU=  5.97D-06    CP:  9.11D-01  1.14D+00  9.39D-01  8.45D-01  2.02D+00
                    CP:  1.45D+00  8.12D-01  1.74D+00  2.41D+00  3.00D+00
                    CP:  3.00D+00  3.00D+00  3.00D+00  3.00D+00  1.89D+00
 E= -3469.47042094248     Delta-E=        0.000000019278 Rises=F Damp=F
 DIIS: error= 3.04D-07 at cycle  16 NSaved=  16.
 NSaved=16 IEnMin=12 EnMin= -3469.47042100557     IErMin=16 ErrMin= 3.04D-07
 ErrMax= 3.04D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.03D-10 BMatP= 6.73D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.189D-05 0.429D-04 0.524D-06-0.457D-03-0.298D-03 0.118D-02
 Coeff-Com:  0.254D-02 0.141D-02-0.156D-01-0.546D-01 0.557D-01 0.262D+00
 Coeff-Com: -0.124D+00-0.624D+00 0.108D+00 0.139D+01
 Coeff:      0.189D-05 0.429D-04 0.524D-06-0.457D-03-0.298D-03 0.118D-02
 Coeff:      0.254D-02 0.141D-02-0.156D-01-0.546D-01 0.557D-01 0.262D+00
 Coeff:     -0.124D+00-0.624D+00 0.108D+00 0.139D+01
 Gap=     0.333 Goal=   None    Shift=    0.000
 Gap=     0.317 Goal=   None    Shift=    0.000
 RMSDP=8.04D-06 MaxDP=8.02D-04 DE= 1.93D-08 OVMax= 2.93D-05

 Cycle  17  Pass 1  IDiag  1:
 RMSU=  1.31D-06    CP:  9.11D-01  1.14D+00  9.39D-01  8.49D-01  2.01D+00
                    CP:  1.43D+00  7.50D-01  1.81D+00  2.60D+00  3.00D+00
                    CP:  3.00D+00  3.00D+00  3.00D+00  3.00D+00  2.55D+00
                    CP:  1.83D+00
 E= -3469.47042092631     Delta-E=        0.000000016174 Rises=F Damp=F
 DIIS: error= 1.25D-07 at cycle  17 NSaved=  17.
 NSaved=17 IEnMin=12 EnMin= -3469.47042100557     IErMin=17 ErrMin= 1.25D-07
 ErrMax= 1.25D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.19D-11 BMatP= 2.03D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.328D-05 0.624D-04 0.291D-04-0.166D-03-0.525D-03 0.215D-03
 Coeff-Com:  0.181D-02 0.392D-02 0.457D-03-0.474D-01-0.185D-01 0.129D+00
 Coeff-Com:  0.560D-01-0.188D+00-0.194D+00 0.161D+00 0.110D+01
 Coeff:     -0.328D-05 0.624D-04 0.291D-04-0.166D-03-0.525D-03 0.215D-03
 Coeff:      0.181D-02 0.392D-02 0.457D-03-0.474D-01-0.185D-01 0.129D+00
 Coeff:      0.560D-01-0.188D+00-0.194D+00 0.161D+00 0.110D+01
 Gap=     0.333 Goal=   None    Shift=    0.000
 Gap=     0.317 Goal=   None    Shift=    0.000
 RMSDP=3.65D-06 MaxDP=3.68D-04 DE= 1.62D-08 OVMax= 8.39D-06

 Cycle  18  Pass 1  IDiag  1:
 RMSU=  8.60D-07    CP:  9.11D-01  1.14D+00  9.39D-01  8.51D-01  2.01D+00
                    CP:  1.42D+00  7.21D-01  1.85D+00  2.67D+00  3.00D+00
                    CP:  3.00D+00  3.00D+00  3.00D+00  3.00D+00  2.82D+00
                    CP:  2.19D+00  1.67D+00
 E= -3469.47042092114     Delta-E=        0.000000005173 Rises=F Damp=F
 DIIS: error= 8.09D-08 at cycle  18 NSaved=  18.
 NSaved=18 IEnMin=12 EnMin= -3469.47042100557     IErMin=18 ErrMin= 8.09D-08
 ErrMax= 8.09D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.04D-12 BMatP= 3.19D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.704D-06 0.702D-05 0.433D-05 0.131D-04-0.659D-04-0.776D-04
 Coeff-Com:  0.509D-04 0.548D-03 0.182D-02-0.197D-02-0.861D-02-0.532D-02
 Coeff-Com:  0.204D-01 0.346D-01-0.444D-01-0.144D+00 0.175D+00 0.972D+00
 Coeff:     -0.704D-06 0.702D-05 0.433D-05 0.131D-04-0.659D-04-0.776D-04
 Coeff:      0.509D-04 0.548D-03 0.182D-02-0.197D-02-0.861D-02-0.532D-02
 Coeff:      0.204D-01 0.346D-01-0.444D-01-0.144D+00 0.175D+00 0.972D+00
 Gap=     0.333 Goal=   None    Shift=    0.000
 Gap=     0.317 Goal=   None    Shift=    0.000
 RMSDP=9.16D-07 MaxDP=9.83D-05 DE= 5.17D-09 OVMax= 2.35D-06

 Cycle  19  Pass 1  IDiag  1:
 RMSU=  3.67D-07    CP:  9.11D-01  1.14D+00  9.39D-01  8.51D-01  2.01D+00
                    CP:  1.42D+00  7.15D-01  1.86D+00  2.69D+00  3.00D+00
                    CP:  3.00D+00  3.00D+00  3.00D+00  3.00D+00  2.87D+00
                    CP:  2.28D+00  1.85D+00  1.39D+00
 E= -3469.47042091943     Delta-E=        0.000000001708 Rises=F Damp=F
 DIIS: error= 6.77D-08 at cycle  19 NSaved=  19.
 NSaved=19 IEnMin=12 EnMin= -3469.47042100557     IErMin=19 ErrMin= 6.77D-08
 ErrMax= 6.77D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.34D-12 BMatP= 7.04D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.229D-06-0.566D-05-0.240D-05 0.220D-04 0.462D-04-0.389D-04
 Coeff-Com: -0.204D-03-0.362D-03 0.232D-03 0.484D-02 0.630D-04-0.154D-01
 Coeff-Com: -0.246D-02 0.297D-01 0.179D-01-0.471D-01-0.149D+00 0.215D+00
 Coeff-Com:  0.947D+00
 Coeff:      0.229D-06-0.566D-05-0.240D-05 0.220D-04 0.462D-04-0.389D-04
 Coeff:     -0.204D-03-0.362D-03 0.232D-03 0.484D-02 0.630D-04-0.154D-01
 Coeff:     -0.246D-02 0.297D-01 0.179D-01-0.471D-01-0.149D+00 0.215D+00
 Coeff:      0.947D+00
 Gap=     0.333 Goal=   None    Shift=    0.000
 Gap=     0.317 Goal=   None    Shift=    0.000
 RMSDP=3.74D-07 MaxDP=4.36D-05 DE= 1.71D-09 OVMax= 1.36D-06

 Cycle  20  Pass 1  IDiag  1:
 RMSU=  1.69D-07    CP:  9.11D-01  1.14D+00  9.39D-01  8.51D-01  2.01D+00
                    CP:  1.42D+00  7.13D-01  1.86D+00  2.70D+00  3.00D+00
                    CP:  3.00D+00  3.00D+00  3.00D+00  3.00D+00  2.89D+00
                    CP:  2.31D+00  1.90D+00  1.52D+00  1.18D+00
 E= -3469.47042091794     Delta-E=        0.000000001486 Rises=F Damp=F
 DIIS: error= 5.77D-08 at cycle  20 NSaved=  20.
 NSaved=20 IEnMin=12 EnMin= -3469.47042100557     IErMin=20 ErrMin= 5.77D-08
 ErrMax= 5.77D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.13D-12 BMatP= 3.34D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.449D-07 0.206D-06-0.214D-07-0.627D-05-0.490D-06 0.194D-04
 Coeff-Com:  0.340D-04-0.919D-05-0.303D-03-0.444D-03 0.964D-03 0.393D-02
 Coeff-Com: -0.343D-02-0.103D-01 0.565D-02 0.380D-01-0.467D-01-0.259D+00
 Coeff-Com:  0.490D-01 0.122D+01
 Coeff:      0.449D-07 0.206D-06-0.214D-07-0.627D-05-0.490D-06 0.194D-04
 Coeff:      0.340D-04-0.919D-05-0.303D-03-0.444D-03 0.964D-03 0.393D-02
 Coeff:     -0.343D-02-0.103D-01 0.565D-02 0.380D-01-0.467D-01-0.259D+00
 Coeff:      0.490D-01 0.122D+01
 Gap=     0.333 Goal=   None    Shift=    0.000
 Gap=     0.317 Goal=   None    Shift=    0.000
 RMSDP=3.63D-07 MaxDP=6.00D-05 DE= 1.49D-09 OVMax= 1.49D-06

 Cycle  21  Pass 1  IDiag  1:
 Restarting incremental Fock formation.
 E= -3469.47042110512     Delta-E=       -0.000000187178 Rises=F Damp=F
 DIIS: error= 3.55D-06 at cycle  21 NSaved=  20.
 NSaved=20 IEnMin=20 EnMin= -3469.47042110512     IErMin=19 ErrMin= 5.77D-08
 ErrMax= 3.55D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.41D-08 BMatP= 2.13D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.565D-06 0.258D-06-0.640D-05-0.326D-05 0.181D-04 0.404D-04
 Coeff-Com:  0.113D-04-0.280D-03-0.605D-03 0.832D-03 0.426D-02-0.314D-02
 Coeff-Com: -0.107D-01 0.508D-02 0.382D-01-0.450D-01-0.260D+00 0.465D-01
 Coeff-Com:  0.122D+01 0.103D-03
 Coeff:      0.565D-06 0.258D-06-0.640D-05-0.326D-05 0.181D-04 0.404D-04
 Coeff:      0.113D-04-0.280D-03-0.605D-03 0.832D-03 0.426D-02-0.314D-02
 Coeff:     -0.107D-01 0.508D-02 0.382D-01-0.450D-01-0.260D+00 0.465D-01
 Coeff:      0.122D+01 0.103D-03
 Gap=     0.333 Goal=   None    Shift=    0.000
 Gap=     0.317 Goal=   None    Shift=    0.000
 RMSDP=5.28D-09 MaxDP=3.53D-07 DE=-1.87D-07 OVMax= 2.58D-09

 SCF Done:  E(UM11) =  -3469.47042111     A.U. after   21 cycles
            NFock= 21  Conv=0.53D-08     -V/T= 2.0069
 <Sx>= 0.0000 <Sy>= 0.0000 <Sz>= 0.5000 <S**2>= 0.7520 S= 0.5010
 <L.S>= 0.000000000000E+00
 KE= 3.445751884519D+03 PE=-1.805450247517D+04 EE= 6.211805674903D+03
 Annihilation of the first spin contaminant:
 S**2 before annihilation     0.7520,   after     0.7500
 Leave Link  502 at Fri Aug 27 17:45:56 2021, MaxMem=  7516192768 cpu:           41518.4 elap:            5231.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l508.exe)
 QCSCF skips out because SCF is already converged.
 Leave Link  508 at Fri Aug 27 17:45:56 2021, MaxMem=  7516192768 cpu:               1.2 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   968
 NBasis=   968 NAE=   144 NBE=   143 NFC=     0 NFV=     0
 NROrb=    968 NOA=   144 NOB=   143 NVA=   824 NVB=   825

 **** Warning!!: The largest alpha MO coefficient is  0.98033267D+02


 **** Warning!!: The largest beta MO coefficient is  0.97666371D+02

 Leave Link  801 at Fri Aug 27 17:45:57 2021, MaxMem=  7516192768 cpu:               1.8 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  UHF open shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
        19482 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    7516192768 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=      72.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          63
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 3.94D-12 8.33D-09 XBig12= 1.00D+00 2.45D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 3.94D-12 8.33D-09 XBig12= 1.90D-01 1.69D-01.
     11 vectors produced by pass  2 Test12= 3.94D-12 8.33D-09 XBig12= 7.61D-02 9.12D-02.
     11 vectors produced by pass  3 Test12= 3.94D-12 8.33D-09 XBig12= 2.49D-02 5.90D-02.
     11 vectors produced by pass  4 Test12= 3.94D-12 8.33D-09 XBig12= 8.05D-03 2.02D-02.
     11 vectors produced by pass  5 Test12= 3.94D-12 8.33D-09 XBig12= 1.05D-03 6.12D-03.
     11 vectors produced by pass  6 Test12= 3.94D-12 8.33D-09 XBig12= 2.48D-04 4.39D-03.
     11 vectors produced by pass  7 Test12= 3.94D-12 8.33D-09 XBig12= 4.13D-05 2.56D-03.
     11 vectors produced by pass  8 Test12= 3.94D-12 8.33D-09 XBig12= 4.34D-06 6.15D-04.
     11 vectors produced by pass  9 Test12= 3.94D-12 8.33D-09 XBig12= 5.75D-07 1.83D-04.
     11 vectors produced by pass 10 Test12= 3.94D-12 8.33D-09 XBig12= 8.96D-08 5.63D-05.
     11 vectors produced by pass 11 Test12= 3.94D-12 8.33D-09 XBig12= 1.04D-08 1.58D-05.
     11 vectors produced by pass 12 Test12= 3.94D-12 8.33D-09 XBig12= 6.50D-10 4.83D-06.
     11 vectors produced by pass 13 Test12= 3.94D-12 8.33D-09 XBig12= 4.29D-11 1.27D-06.
     10 vectors produced by pass 14 Test12= 3.94D-12 8.33D-09 XBig12= 3.98D-12 2.49D-07.
      7 vectors produced by pass 15 Test12= 3.94D-12 8.33D-09 XBig12= 8.27D-13 7.99D-08.
      3 vectors produced by pass 16 Test12= 3.94D-12 8.33D-09 XBig12= 2.72D-13 3.69D-08.
      1 vectors produced by pass 17 Test12= 3.94D-12 8.33D-09 XBig12= 4.03D-14 8.35D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.02D-13
 Solved reduced A of dimension   175 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.400924D+03
      2  0.349854D+02  0.338012D+03
      3  0.524798D-02 -0.281672D-02  0.250709D+03
 Isotropic polarizability for W=    0.085645      329.88 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.211313D+00  0.315159D-01  0.352890D+01
      2  -0.142949D+00  0.101786D-01 -0.111273D+03
      3  -0.683639D-01 -0.416945D-01  0.107744D+03
      4  -0.341711D-01 -0.573575D-01  0.896547D+02
      5   0.142292D+03  0.902848D+02  0.348603D-01
      6   0.153063D+02  0.487959D+02 -0.113544D+00
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.114674D+02  0.222653D+02  0.385240D-01
      2   0.940596D+01  0.471086D+02  0.269327D-01
      3   0.291594D-01  0.548674D-02 -0.511218D+02
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.630071D+00  0.160069D+03  0.718498D-01
      2  -0.138763D+03  0.743484D+02  0.103224D+00
      3  -0.656870D-01 -0.855915D-01 -0.749784D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.184909D+01 -0.525459D+01 -0.161505D-01
      2  -0.525459D+01 -0.127075D+02 -0.590077D-02
      3  -0.161505D-01 -0.590077D-02 -0.924020D+00
 OR G Eigenvalues:   -14.8339    -0.9241     0.2774  Iso=     5.1602
 Eigenvectors:
   (1)   0.375121   0.926975   0.000829
   (2)   0.009532  -0.004751   0.999943
   (3)   0.926927  -0.375092  -0.010618
 w=    0.085645 a.u., Optical Rotation Beta=      5.1602 au.
 Molar Mass =    558.0192 grams/mole, [Alpha] ( 5320.0 A) =      438.57 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 1 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  468996 ScalPx= 7.84D+02
 PxSclF for G(T1ab):  IOpCl= 1 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  468996 IRwP= 19994 19993 IPTmp= 19962 19961 ScalPx= 1.65D+04
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 6.57D-13 2.78D-09 XBig12= 1.00D+00 7.96D-01.
     30 vectors produced by pass  1 Test12= 6.57D-13 2.78D-09 XBig12= 1.00D+00 5.01D-01.
     30 vectors produced by pass  2 Test12= 6.57D-13 2.78D-09 XBig12= 6.48D-02 5.74D-02.
     30 vectors produced by pass  3 Test12= 6.57D-13 2.78D-09 XBig12= 3.39D-03 9.55D-03.
     30 vectors produced by pass  4 Test12= 6.57D-13 2.78D-09 XBig12= 3.60D-04 3.07D-03.
     30 vectors produced by pass  5 Test12= 6.57D-13 2.78D-09 XBig12= 2.20D-05 6.59D-04.
     30 vectors produced by pass  6 Test12= 6.57D-13 2.78D-09 XBig12= 8.66D-07 1.08D-04.
     30 vectors produced by pass  7 Test12= 6.57D-13 2.78D-09 XBig12= 2.66D-08 1.37D-05.
     30 vectors produced by pass  8 Test12= 6.57D-13 2.78D-09 XBig12= 8.34D-10 2.41D-06.
     30 vectors produced by pass  9 Test12= 6.57D-13 2.78D-09 XBig12= 2.17D-11 3.04D-07.
     29 vectors produced by pass 10 Test12= 6.57D-13 2.78D-09 XBig12= 9.43D-13 4.38D-08.
      9 vectors produced by pass 11 Test12= 6.57D-13 2.78D-09 XBig12= 1.48D-13 2.41D-08.
      1 vectors produced by pass 12 Test12= 6.57D-13 2.78D-09 XBig12= 2.98D-14 7.70D-09.
      1 vectors produced by pass 13 Test12= 6.57D-13 2.78D-09 XBig12= 3.93D-14 1.10D-08.
      1 vectors produced by pass 14 Test12= 6.57D-13 2.78D-09 XBig12= 1.87D-14 4.35D-09.
      1 vectors produced by pass 15 Test12= 6.57D-13 2.78D-09 XBig12= 2.03D-14 4.81D-09.
      1 vectors produced by pass 16 Test12= 6.57D-13 2.78D-09 XBig12= 1.89D-14 6.55D-09.
      1 vectors produced by pass 17 Test12= 6.57D-13 2.78D-09 XBig12= 1.20D-14 4.39D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.33D-15
 Solved reduced A of dimension   344 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 1 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  468996 ScalPx= 2.43D+04
 PxScal for FxTab-XC:  IOpCl= 1 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  468996 ScalPx= 2.43D+04
 PxSclF for G(Xab):  IOpCl= 1 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  468996 IRwP= 19964 19963 IPTmp= 19956 19955 ScalPx= 1.71D+04
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.400924D+03  0.349854D+02  0.524798D-02
      2   0.349854D+02  0.338012D+03 -0.281672D-02
      3   0.524798D-02 -0.281672D-02  0.250709D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.114674D+02  0.222653D+02  0.385240D-01
      2   0.940596D+01  0.471086D+02  0.269327D-01
      3   0.291594D-01  0.548674D-02 -0.511218D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.211313D+00  0.315159D-01  0.352890D+01
      2  -0.142949D+00  0.101786D-01 -0.111273D+03
      3  -0.683639D-01 -0.416945D-01  0.107744D+03
      4  -0.341711D-01 -0.573575D-01  0.896547D+02
      5   0.142292D+03  0.902848D+02  0.348603D-01
      6   0.153063D+02  0.487959D+02 -0.113544D+00
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   189 ND12= 1 LenFil=    6807:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.772379D+01 -0.934695D+00  0.164100D+01 -0.152381D+00  0.226153D+01
      2  -0.934695D+00  0.429413D+00  0.504576D+00  0.226153D+01 -0.682536D+00
      3   0.164100D+01  0.504576D+00  0.180835D+01 -0.224303D+00  0.299276D+00
                 6             7             8             9            10 
      1  -0.224303D+00 -0.160679D+01 -0.780389D+00  0.230825D+01 -0.251380D+01
      2   0.299276D+00 -0.780389D+00 -0.101028D+01  0.341536D+01 -0.651456D-02
      3   0.341744D+01  0.230825D+01  0.341536D+01  0.338935D+00 -0.285972D+00
                11            12            13            14            15 
      1  -0.651456D-02 -0.285972D+00  0.103384D+01 -0.444993D+01  0.111423D+01
      2  -0.324575D+01  0.954911D+00 -0.444993D+01 -0.785089D+00 -0.207072D+01
      3   0.954911D+00 -0.185327D+01  0.111423D+01 -0.207072D+01 -0.406079D+01
                16            17            18            19            20 
      1   0.745837D+00  0.136316D+01 -0.409609D+01  0.165366D+02  0.652448D+01
      2   0.136316D+01  0.274290D+00 -0.303433D+01  0.652448D+01  0.112112D+02
      3  -0.409609D+01 -0.303433D+01  0.274172D+00  0.396557D+00  0.105274D+01
                21            22            23            24            25 
      1   0.396557D+00  0.250156D+01  0.448615D+01 -0.625838D-01  0.199231D+00
      2   0.105274D+01  0.448615D+01  0.165924D+02  0.233257D+01  0.260992D+00
      3   0.149945D+01 -0.625838D-01  0.233257D+01  0.152011D+01  0.377879D+01
                26            27            28            29            30 
      1   0.260992D+00  0.377879D+01 -0.142026D+02  0.607077D+00 -0.396769D+00
      2   0.199535D+01  0.199552D+01  0.607077D+00  0.105894D+02  0.630427D+00
      3   0.199552D+01  0.813307D+00 -0.396769D+00  0.630427D+00 -0.244461D+00
                31            32            33            34            35 
      1   0.559196D+01  0.502426D+01 -0.439030D+00  0.131355D+01 -0.666128D+00
      2   0.502426D+01  0.279015D+01 -0.101584D+00 -0.666128D+00  0.102434D+01
      3  -0.439030D+00 -0.101584D+00  0.320211D+00  0.165925D+01  0.267649D+01
                36            37            38            39            40 
      1   0.165925D+01  0.362100D+00  0.194997D+01 -0.568874D+00  0.103799D+02
      2   0.267649D+01  0.194997D+01  0.663991D+00  0.220652D+01  0.218314D+01
      3   0.865329D+00 -0.568874D+00  0.220652D+01 -0.321765D+01  0.250142D+01
                41            42            43            44            45 
      1   0.218314D+01  0.250142D+01  0.895317D+00  0.508721D+01 -0.542322D+01
      2  -0.119911D+01 -0.166943D+01  0.508721D+01 -0.507385D+00 -0.143532D+01
      3  -0.166943D+01  0.159096D+01 -0.542322D+01 -0.143532D+01  0.262462D+01
                46            47            48            49            50 
      1  -0.316328D+00 -0.354647D+01  0.161932D+01 -0.525976D+01 -0.510249D+01
      2  -0.354647D+01 -0.352969D+01 -0.413862D+00 -0.510249D+01  0.447668D+00
      3   0.161932D+01 -0.413862D+00  0.328241D+01  0.544036D+00  0.218638D+01
                51            52            53            54            55 
      1   0.544036D+00 -0.271681D+01 -0.325452D+01  0.479572D+01 -0.157772D+01
      2   0.218638D+01 -0.325452D+01 -0.240136D+00 -0.190964D+00 -0.504975D+01
      3  -0.106707D+01  0.479572D+01 -0.190964D+00 -0.184473D+01  0.153611D+01
                56            57            58            59            60 
      1  -0.504975D+01  0.153611D+01 -0.843050D+01  0.886565D+00 -0.192403D+01
      2  -0.404293D+00 -0.171919D+01  0.886565D+00  0.184877D+01  0.328119D+01
      3  -0.171919D+01  0.385582D+01 -0.192403D+01  0.328119D+01  0.287307D+01
                61            62            63            64            65 
      1   0.392191D+01 -0.113033D+01  0.468914D+01  0.164168D+02  0.378334D+01
      2  -0.113033D+01  0.325244D+01  0.253534D+01  0.378334D+01 -0.110646D+02
      3   0.468914D+01  0.253534D+01 -0.105351D+01  0.877831D+00 -0.151739D+01
                66            67            68            69            70 
      1   0.877831D+00  0.842328D+01  0.688364D+00  0.383005D+00  0.252799D+01
      2  -0.151739D+01  0.688364D+00  0.590792D+01  0.591287D+00 -0.320378D-01
      3  -0.405956D+00  0.383005D+00  0.591287D+00  0.739448D+00 -0.106196D+01
                71            72            73            74            75 
      1  -0.320378D-01 -0.106196D+01  0.935995D-02  0.157120D-02 -0.225531D+00
      2  -0.254418D+00  0.114004D+01  0.157120D-02  0.909032D-03 -0.394349D+00
      3   0.114004D+01  0.396261D+00 -0.225531D+00 -0.394349D+00 -0.571121D-04
                76            77            78            79            80 
      1  -0.334645D-02  0.240870D-02 -0.922342D+00  0.244345D+01  0.825735D+00
      2   0.240870D-02  0.106542D-02  0.345411D+00  0.825735D+00  0.314016D+00
      3  -0.922342D+00  0.345411D+00  0.491897D-03  0.534326D-03  0.142190D-02
                81            82            83            84            85 
      1   0.534326D-03  0.257888D+01 -0.102490D+02 -0.172933D+01 -0.112214D+02
      2   0.142190D-02 -0.102490D+02 -0.372150D+01 -0.807975D+00  0.151011D+01
      3  -0.264304D+00 -0.172933D+01 -0.807975D+00 -0.349891D+00  0.662483D+00
                86            87            88            89            90 
      1   0.151011D+01  0.662483D+00 -0.336621D+01  0.329431D+00 -0.184621D+01
      2  -0.185064D+01 -0.484330D-01  0.329431D+00  0.328658D+00 -0.113730D+01
      3  -0.484330D-01 -0.148014D+00 -0.184621D+01 -0.113730D+01 -0.353518D+00
                91            92            93            94            95 
      1  -0.104360D+02  0.486678D+01  0.709146D+00 -0.862469D+01 -0.159825D+02
      2   0.486678D+01 -0.523346D+01 -0.412770D+00 -0.159825D+02 -0.267083D+02
      3   0.709146D+00 -0.412770D+00 -0.126284D+01 -0.218116D+01 -0.326359D+01
                96            97            98            99           100 
      1  -0.218116D+01 -0.283674D+01 -0.246360D+01 -0.229849D+01 -0.682970D+00
      2  -0.326359D+01 -0.246360D+01 -0.352053D+01 -0.482047D+01 -0.479785D+01
      3  -0.249054D+01 -0.229849D+01 -0.482047D+01 -0.180378D+01 -0.345789D+00
               101           102           103           104           105 
      1  -0.479785D+01 -0.345789D+00  0.870173D+00  0.100358D+02  0.168306D+01
      2  -0.338334D+01 -0.194482D+00  0.100358D+02  0.416939D+01  0.581073D+00
      3  -0.194482D+00 -0.114512D+01  0.168306D+01  0.581073D+00 -0.303356D+00
               106           107           108           109           110 
      1   0.203128D+01  0.149339D+01 -0.851536D+00  0.282227D+01  0.876280D+00
      2   0.149339D+01 -0.802818D+00  0.715616D+00  0.876280D+00  0.432041D+01
      3  -0.851536D+00  0.715616D+00 -0.409300D+00  0.156666D+01  0.104903D-01
               111           112           113           114           115 
      1   0.156666D+01 -0.141931D+01 -0.503510D+00 -0.544794D+00  0.147539D+01
      2   0.104903D-01 -0.503510D+00 -0.441916D+01  0.110906D+01  0.503099D+00
      3   0.950062D+00 -0.544794D+00  0.110906D+01 -0.600388D+00  0.149441D+01
               116           117           118           119           120 
      1   0.503099D+00  0.149441D+01 -0.172456D+01 -0.493632D+01  0.351571D+00
      2   0.416932D+01 -0.133128D+01 -0.493632D+01 -0.166977D+01 -0.161171D+01
      3  -0.133128D+01  0.361340D+01  0.351571D+00 -0.161171D+01  0.300564D+01
               121           122           123           124           125 
      1  -0.416309D+01 -0.156351D+01 -0.154293D+01  0.417807D+00 -0.180166D+01
      2  -0.156351D+01 -0.132177D+00  0.171754D+01 -0.180166D+01  0.188768D+01
      3  -0.154293D+01  0.171754D+01 -0.430855D+00  0.286328D+01 -0.710118D+00
               126           127           128           129           130 
      1   0.286328D+01  0.154445D+01  0.443054D+01 -0.642518D+00  0.669724D+01
      2  -0.710118D+00  0.443054D+01 -0.181195D+00  0.165139D+01 -0.176758D+01
      3  -0.351966D+01 -0.642518D+00  0.165139D+01 -0.246769D+01  0.182689D+01
               131           132           133           134           135 
      1  -0.176758D+01  0.182689D+01 -0.149322D+01  0.875970D+00 -0.331450D+01
      2  -0.204083D+01 -0.290771D+01  0.875970D+00 -0.302680D+01 -0.290769D+01
      3  -0.290771D+01 -0.257045D+01 -0.331450D+01 -0.290769D+01  0.136165D+01
               136           137           138           139           140 
      1   0.340671D+01  0.409794D+01 -0.116812D+01  0.465312D+01 -0.144369D+01
      2   0.409794D+01 -0.287690D+00  0.180586D+01 -0.144369D+01 -0.125784D+01
      3  -0.116812D+01  0.180586D+01 -0.234225D+01  0.156029D+01 -0.389383D+01
               141           142           143           144           145 
      1   0.156029D+01 -0.143134D+01  0.990626D+00 -0.244642D+01 -0.164132D+02
      2  -0.389383D+01  0.990626D+00 -0.300653D+01 -0.211990D+01 -0.379111D+01
      3  -0.205656D+01 -0.244642D+01 -0.211990D+01  0.123366D+01  0.888069D+00
               146           147           148           149           150 
      1  -0.379111D+01  0.888069D+00 -0.842078D+01 -0.691250D+00  0.384631D+00
      2   0.110622D+02 -0.152255D+01 -0.691250D+00 -0.590286D+01  0.594663D+00
      3  -0.152255D+01  0.407233D+00  0.384631D+00  0.594663D+00 -0.739509D+00
               151           152           153           154           155 
      1   0.254407D+01 -0.327032D-01  0.106198D+01  0.142041D+02 -0.595800D+00
      2  -0.327032D-01 -0.245744D+00 -0.113965D+01 -0.595800D+00 -0.105894D+02
      3   0.106198D+01 -0.113965D+01  0.399294D+00 -0.402506D+00  0.634618D+00
               156           157           158           159           160 
      1  -0.402506D+00 -0.556851D+01 -0.502687D+01 -0.444741D+00  0.132755D+01
      2   0.634618D+00 -0.502687D+01 -0.280459D+01 -0.106765D+00 -0.670105D+00
      3   0.243629D+00 -0.444741D+00 -0.106765D+00 -0.319928D+00 -0.165634D+01
               161           162           163           164           165 
      1  -0.670105D+00 -0.165634D+01 -0.360084D+00 -0.195638D+01 -0.574443D+00
      2   0.102841D+01 -0.267913D+01 -0.195638D+01 -0.663269D+00  0.220479D+01
      3  -0.267913D+01  0.867966D+00 -0.574443D+00  0.220479D+01  0.321100D+01
               166           167           168           169           170 
      1  -0.103824D+02 -0.218199D+01  0.250000D+01  0.885514D+00  0.509577D+01
      2  -0.218199D+01  0.119908D+01 -0.166669D+01  0.509577D+01 -0.501762D+00
      3   0.250000D+01 -0.166669D+01 -0.157980D+01  0.541361D+01  0.144621D+01
               171           172           173           174           175 
      1   0.541361D+01  0.156059D+01  0.505251D+01  0.154818D+01  0.842954D+01
      2   0.144621D+01  0.505251D+01  0.405302D+00 -0.171251D+01 -0.888606D+00
      3   0.264263D+01  0.154818D+01 -0.171251D+01 -0.384712D+01 -0.190936D+01
               176           177           178           179           180 
      1  -0.888606D+00 -0.190936D+01  0.393061D+01 -0.112242D+01 -0.467404D+01
      2  -0.184694D+01  0.327640D+01 -0.112242D+01  0.325235D+01 -0.254421D+01
      3   0.327640D+01 -0.288691D+01 -0.467404D+01 -0.254421D+01 -0.107200D+01
               181           182           183           184           185 
      1   0.251240D+01 -0.168227D-02 -0.293736D+00 -0.104244D+01  0.445206D+01
      2  -0.168227D-02  0.324490D+01  0.952095D+00  0.445206D+01  0.790483D+00
      3  -0.293736D+00  0.952095D+00  0.184940D+01  0.110856D+01 -0.206190D+01
               186           187           188           189           190 
      1   0.110856D+01  0.735397D+00  0.136084D+01  0.409252D+01 -0.165276D+02
      2  -0.206190D+01  0.136084D+01  0.282638D+00  0.303852D+01 -0.651811D+01
      3   0.406492D+01  0.409252D+01  0.303852D+01  0.283790D+00  0.397365D+00
               191           192           193           194           195 
      1  -0.651811D+01  0.397365D+00 -0.251026D+01 -0.447848D+01 -0.626025D-01
      2  -0.112101D+02  0.105108D+01 -0.447848D+01 -0.165979D+02  0.233527D+01
      3   0.105108D+01 -0.149837D+01 -0.626025D-01  0.233527D+01 -0.152482D+01
               196           197           198           199           200 
      1   0.197545D+00  0.252441D+00 -0.377684D+01  0.772363D+01  0.941632D+00
      2   0.252441D+00  0.198481D+01 -0.199407D+01  0.941632D+00 -0.427398D+00
      3  -0.377684D+01 -0.199407D+01  0.811549D+00  0.165720D+01  0.510970D+00
               201           202           203           204           205 
      1   0.165720D+01  0.159805D+00 -0.226170D+01 -0.217613D+00 -0.158807D+01
      2   0.510970D+00 -0.226170D+01  0.677481D+00  0.293150D+00 -0.774362D+00
      3  -0.180291D+01 -0.217613D+00  0.293150D+00 -0.341797D+01 -0.230533D+01
               206           207           208           209           210 
      1  -0.774362D+00 -0.230533D+01  0.315061D+00  0.355129D+01  0.162724D+01
      2  -0.101547D+01 -0.341620D+01  0.355129D+01  0.353483D+01 -0.412325D+00
      3  -0.341620D+01  0.333241D+00  0.162724D+01 -0.412325D+00 -0.327403D+01
               211           212           213           214           215 
      1   0.525702D+01  0.510826D+01  0.543876D+00 -0.270358D+01 -0.325513D+01
      2   0.510826D+01 -0.437328D+00  0.219155D+01 -0.325513D+01 -0.236923D+00
      3   0.543876D+00  0.219155D+01  0.106203D+01 -0.478947D+01  0.182956D+00
               216           217           218           219           220 
      1  -0.478947D+01 -0.340614D+01 -0.410030D+01 -0.117811D+01 -0.465219D+01
      2   0.182956D+00 -0.410030D+01  0.302063D+00  0.179405D+01  0.145896D+01
      3  -0.186243D+01 -0.117811D+01  0.179405D+01  0.233694D+01  0.154548D+01
               221           222           223           224           225 
      1   0.145896D+01  0.154548D+01 -0.144342D+01  0.977396D+00  0.243853D+01
      2   0.124519D+01 -0.389371D+01  0.977396D+00 -0.300784D+01  0.213320D+01
      3  -0.389371D+01  0.207119D+01  0.243853D+01  0.213320D+01  0.124073D+01
               226           227           228           229           230 
      1  -0.153130D+01 -0.443752D+01 -0.654288D+00 -0.670538D+01  0.176548D+01
      2  -0.443752D+01  0.181236D+00  0.164443D+01  0.176548D+01  0.203931D+01
      3  -0.654288D+00  0.164443D+01  0.246206D+01  0.181667D+01 -0.290055D+01
               231           232           233           234           235 
      1   0.181667D+01 -0.150223D+01  0.867535D+00  0.330511D+01  0.170823D+01
      2  -0.290055D+01  0.867535D+00 -0.302328D+01  0.291799D+01  0.493617D+01
      3   0.258165D+01  0.330511D+01  0.291799D+01  0.137203D+01  0.361568D+00
               236           237           238           239           240 
      1   0.493617D+01  0.361568D+00  0.416881D+01  0.156742D+01 -0.154160D+01
      2   0.167104D+01 -0.160837D+01  0.156742D+01  0.138894D+00  0.171450D+01
      3  -0.160837D+01 -0.299866D+01 -0.154160D+01  0.171450D+01  0.421295D+00
               241           242           243           244           245 
      1   0.429455D+00 -0.179863D+01 -0.285639D+01  0.104529D+02 -0.487633D+01
      2  -0.179863D+01  0.188477D+01  0.700623D+00 -0.487633D+01  0.521700D+01
      3  -0.285639D+01  0.700623D+00 -0.353638D+01  0.704026D+00 -0.416622D+00
               246           247           248           249           250 
      1   0.704026D+00  0.860792D+01  0.159648D+02 -0.217801D+01 -0.282822D+01
      2  -0.416622D+00  0.159648D+02  0.267206D+02 -0.326419D+01 -0.246079D+01
      3   0.126229D+01 -0.217801D+01 -0.326419D+01  0.249148D+01  0.229488D+01
               251           252           253           254           255 
      1  -0.246079D+01  0.229488D+01  0.676633D+00  0.479897D+01 -0.345904D+00
      2  -0.351612D+01  0.482024D+01  0.479897D+01  0.338738D+01 -0.193490D+00
      3   0.482024D+01 -0.180192D+01 -0.345904D+00 -0.193490D+00  0.114541D+01
               256           257           258           259           260 
      1  -0.854891D+00 -0.100309D+02  0.168238D+01  0.202499D+01  0.149583D+01
      2  -0.100309D+02 -0.417545D+01  0.580632D+00  0.149583D+01 -0.799947D+00
      3   0.168238D+01  0.580632D+00  0.304358D+00  0.852278D+00 -0.715380D+00
               261           262           263           264           265 
      1   0.852278D+00 -0.282128D+01 -0.874223D+00  0.156622D+01  0.141719D+01
      2  -0.715380D+00 -0.874223D+00 -0.432842D+01  0.944901D-02  0.499809D+00
      3  -0.406521D+00  0.156622D+01  0.944901D-02 -0.950436D+00 -0.543826D+00
               266           267           268           269           270 
      1   0.499809D+00 -0.543826D+00  0.147373D+01  0.499939D+00 -0.149463D+01
      2   0.441184D+01  0.110785D+01  0.499939D+00  0.416589D+01  0.133120D+01
      3   0.110785D+01  0.598606D+00 -0.149463D+01  0.133120D+01  0.361124D+01
               271           272           273           274           275 
      1  -0.260834D+01  0.102528D+02 -0.172000D+01  0.112244D+02 -0.150795D+01
      2   0.102528D+02  0.373177D+01 -0.805171D+00 -0.150795D+01  0.185283D+01
      3  -0.172000D+01 -0.805171D+00  0.349510D+00  0.658789D+00 -0.478928D-01
               276           277           278           279           280 
      1   0.658789D+00 -0.336134D+01  0.330608D+00  0.184659D+01 -0.343706D+01
      2  -0.478928D-01  0.330608D+00  0.327896D+00  0.113888D+01 -0.115972D+01
      3   0.149242D+00  0.184659D+01  0.113888D+01 -0.353595D+00 -0.141070D+01
               281           282           283           284           285 
      1  -0.115972D+01 -0.141070D+01  0.239647D+00 -0.376681D+00  0.735906D-01
      2  -0.451833D+01  0.100099D+01 -0.376681D+00  0.165829D+01 -0.124714D+01
      3   0.100099D+01 -0.142420D+01  0.735906D-01 -0.124714D+01  0.183451D+00
               286           287           288           289           290 
      1  -0.174037D+01 -0.394071D+00 -0.165901D+01  0.276473D+01  0.210631D+01
      2  -0.394071D+00 -0.247715D+01  0.117000D+01  0.210631D+01  0.187450D+01
      3  -0.165901D+01  0.117000D+01 -0.344256D+01 -0.523300D+00 -0.363254D+00
               291           292           293           294           295 
      1  -0.523300D+00  0.141124D+01  0.272714D+01 -0.348270D+00 -0.398611D+00
      2  -0.363254D+00  0.272714D+01  0.591551D+01 -0.930918D+00 -0.415614D+00
      3   0.697020D+00 -0.348270D+00 -0.930918D+00  0.732031D+00  0.814065D+00
               296           297           298           299           300 
      1  -0.415614D+00  0.814065D+00 -0.276811D+01 -0.210755D+01 -0.523786D+00
      2  -0.678494D+00  0.145121D+01 -0.210755D+01 -0.187438D+01 -0.363273D+00
      3   0.145121D+01 -0.908830D+00 -0.523786D+00 -0.363273D+00 -0.698382D+00
               301           302           303           304           305 
      1  -0.141439D+01 -0.272607D+01 -0.350221D+00 -0.399458D+00 -0.415579D+00
      2  -0.272607D+01 -0.590846D+01 -0.930583D+00 -0.415579D+00 -0.677792D+00
      3  -0.350221D+00 -0.930583D+00 -0.733759D+00 -0.814938D+00 -0.145026D+01
               306           307           308           309           310 
      1  -0.814938D+00  0.344054D+01  0.115942D+01 -0.140950D+01 -0.242305D+00
      2  -0.145026D+01  0.115942D+01  0.451836D+01  0.100188D+01  0.376995D+00
      3  -0.909847D+00 -0.140950D+01  0.100188D+01  0.142367D+01  0.745471D-01
               311           312           313           314           315 
      1   0.376995D+00  0.745471D-01 -0.174059D+01 -0.392803D+00  0.165809D+01
      2  -0.166152D+01 -0.124683D+01 -0.392803D+00 -0.247458D+01 -0.117024D+01
      3  -0.124683D+01 -0.182694D+00  0.165809D+01 -0.117024D+01 -0.343951D+01
               316           317           318           319           320 
      1  -0.470656D+01 -0.338319D+01 -0.136099D+01 -0.408817D+01 -0.446927D+01
      2  -0.338319D+01 -0.422602D+01 -0.872472D+00 -0.446927D+01 -0.623967D+01
      3  -0.136099D+01 -0.872472D+00 -0.102490D+01 -0.134903D+01 -0.198245D+01
               321           322           323           324           325 
      1  -0.134903D+01  0.319501D+00  0.146135D+00 -0.543652D+00  0.229715D+01
      2  -0.198245D+01  0.146135D+00 -0.110309D+01 -0.113273D+01 -0.130147D+01
      3  -0.161654D+01 -0.543652D+00 -0.113273D+01 -0.643464D+00 -0.190481D+01
               326           327           328           329           330 
      1  -0.130147D+01 -0.190481D+01 -0.627417D+00  0.178139D+00  0.359300D+00
      2   0.920354D+00  0.125452D+01  0.178139D+00 -0.148494D+01 -0.149467D+01
      3   0.125452D+01  0.342370D+01  0.359300D+00 -0.149467D+01 -0.117882D+01
               331           332           333           334           335 
      1  -0.103482D+01  0.597349D+00  0.173783D+01 -0.125977D+02 -0.407539D+00
      2   0.597349D+00 -0.135928D+01 -0.183731D+01 -0.407539D+00 -0.904900D+00
      3   0.173783D+01 -0.183731D+01 -0.488921D+01 -0.340637D+01 -0.104143D+00
               336           337           338           339           340 
      1  -0.340637D+01 -0.286632D+00 -0.109102D+01  0.317121D-01 -0.202701D+01
      2  -0.104143D+00 -0.109102D+01  0.310232D+00 -0.529370D+00 -0.130214D-01
      3  -0.213595D+01  0.317121D-01 -0.529370D+00  0.186738D+00 -0.180922D+01
               341           342           343           344           345 
      1  -0.130214D-01 -0.180922D+01 -0.367648D+00  0.424081D+00 -0.103181D+01
      2   0.292162D+00  0.116704D+00  0.424081D+00  0.690436D+00 -0.589607D+00
      3   0.116704D+00 -0.112907D+01 -0.103181D+01 -0.589607D+00  0.180425D+01
               346           347           348           349           350 
      1   0.608156D+00  0.197313D+00  0.266803D+00 -0.820073D+00  0.212804D+00
      2   0.197313D+00  0.181793D+01 -0.182934D+01  0.212804D+00 -0.164128D+01
      3   0.266803D+00 -0.182934D+01  0.297095D+01 -0.113127D+00  0.236515D+01
               351           352           353           354           355 
      1  -0.113127D+00 -0.384730D+01  0.287474D+01  0.392809D+00  0.350062D+01
      2   0.236515D+01  0.287474D+01 -0.156304D+01 -0.382811D+00 -0.252867D+01
      3  -0.622523D+01  0.392809D+00 -0.382811D+00 -0.925999D+00 -0.395602D+00
               356           357           358           359           360 
      1  -0.252867D+01 -0.395602D+00  0.731650D+00 -0.804831D+00 -0.136018D+01
      2   0.567574D+01  0.447477D+00 -0.804831D+00  0.424661D+00  0.809795D+00
      3   0.447477D+00  0.564943D+00 -0.136018D+01  0.809795D+00  0.520391D+00
               361           362           363           364           365 
      1   0.618588D+01  0.234998D+01  0.329296D+00  0.203761D+01  0.109053D+01
      2   0.234998D+01  0.136395D+01 -0.312568D+00  0.109053D+01  0.789124D+00
      3   0.329296D+00 -0.312568D+00  0.230619D+01 -0.371030D-01  0.656061D+00
               366           367           368           369           370 
      1  -0.371030D-01 -0.290296D+00 -0.279650D+00  0.132263D+01 -0.182290D+00
      2   0.656061D+00 -0.279650D+00  0.384349D+00  0.576066D+00 -0.350252D+00
      3   0.796903D+00  0.132263D+01  0.576066D+00 -0.504681D-01  0.102159D+01
               371           372           373           374           375 
      1  -0.350252D+00  0.102159D+01 -0.753379D+00 -0.727975D+00  0.558828D+00
      2  -0.951297D-01 -0.157165D+00 -0.727975D+00 -0.359552D+01  0.290932D+01
      3  -0.157165D+00 -0.474460D+00  0.558828D+00  0.290932D+01 -0.429523D+01
               376           377           378           379           380 
      1   0.100841D+01  0.335459D+00 -0.101892D+01 -0.330716D+01  0.190244D+01
      2   0.335459D+00  0.210709D+01 -0.266653D+01  0.190244D+01 -0.157772D+01
      3  -0.101892D+01 -0.266653D+01  0.507444D+01  0.238397D+01 -0.127728D+01
               381           382           383           384           385 
      1   0.238397D+01  0.262600D+01 -0.193446D+01 -0.185190D+01  0.146190D+01
      2  -0.127728D+01 -0.193446D+01  0.264551D+01  0.240460D+01 -0.883736D+00
      3  -0.290985D+01 -0.185190D+01  0.240460D+01  0.267329D+01 -0.209991D+01
               386           387           388           389           390 
      1  -0.883736D+00 -0.209991D+01 -0.282147D+01 -0.753446D+00 -0.162370D+01
      2   0.145615D+01  0.126685D+01 -0.753446D+00 -0.827168D+00 -0.776372D+00
      3   0.126685D+01  0.307598D+01 -0.162370D+01 -0.776372D+00 -0.143730D+01
               391           392           393           394           395 
      1  -0.805892D+00 -0.128981D+01 -0.815779D+00 -0.326404D+01 -0.127784D+01
      2  -0.128981D+01 -0.141947D+01 -0.635901D+00 -0.127784D+01 -0.101606D+01
      3  -0.815779D+00 -0.635901D+00 -0.121867D+01 -0.169668D+01 -0.120477D+01
               396           397           398           399           400 
      1  -0.169668D+01 -0.678582D+01  0.218545D+01  0.210586D+01  0.572065D+01
      2  -0.120477D+01  0.218545D+01 -0.126901D+01 -0.633397D+00 -0.211850D+01
      3  -0.383101D+01  0.210586D+01 -0.633397D+00 -0.152158D+01 -0.177517D+01
               401           402           403           404           405 
      1  -0.211850D+01 -0.177517D+01  0.282222D+01 -0.650484D+00 -0.228181D+01
      2   0.185692D+01  0.112922D+01 -0.650484D+00  0.940739D+00  0.339183D+00
      3   0.112922D+01  0.118505D+01 -0.228181D+01  0.339183D+00  0.150708D+01
               406           407           408           409           410 
      1  -0.100445D+01 -0.650879D+00  0.998005D+00 -0.196357D+01 -0.241445D+01
      2  -0.650879D+00 -0.412530D+00  0.193067D+00 -0.241445D+01 -0.472512D+01
      3   0.998005D+00  0.193067D+00 -0.498767D+00  0.121362D+01  0.277175D+01
               411           412           413           414           415 
      1   0.121362D+01  0.248876D+01  0.129706D+01 -0.192971D+01  0.314102D+01
      2   0.277175D+01  0.129706D+01  0.282259D+01 -0.258198D+01 -0.241225D+01
      3  -0.252196D+01 -0.192971D+01 -0.258198D+01  0.311183D+01 -0.111473D+01
               416           417           418           419           420 
      1  -0.241225D+01 -0.111473D+01 -0.183867D+01  0.164385D+01  0.631708D+00
      2   0.284774D+01  0.762375D+00  0.164385D+01 -0.370749D+01 -0.131799D+01
      3   0.762375D+00  0.145075D+01  0.631708D+00 -0.131799D+01 -0.697852D+00
               421           422           423           424           425 
      1  -0.173054D+01  0.104634D+01  0.142545D+01 -0.476075D+01 -0.382863D+01
      2   0.104634D+01 -0.276893D+01 -0.126940D+01 -0.382863D+01 -0.485076D+01
      3   0.142545D+01 -0.126940D+01 -0.138999D+01  0.420122D+00  0.811852D+00
               426           427           428           429           430 
      1   0.420122D+00 -0.287611D+01 -0.322235D+01  0.517388D+00 -0.303210D-01
      2   0.811852D+00 -0.322235D+01 -0.577926D+01  0.454371D+00  0.377585D+00
      3  -0.688743D+00  0.517388D+00  0.454371D+00 -0.715613D+00 -0.529528D+00
               431           432           433           434           435 
      1   0.377585D+00 -0.529528D+00  0.127597D+01 -0.794371D+00  0.125988D+01
      2  -0.109084D+00 -0.102056D+01 -0.794371D+00  0.959305D+00 -0.486800D+00
      3  -0.102056D+01  0.639399D+00  0.125988D+01 -0.486800D+00  0.206278D+01
               436           437           438           439           440 
      1   0.772791D-01  0.496564D+00  0.380940D-01  0.117463D+01 -0.471761D+00
      2   0.496564D+00  0.755741D-01  0.870447D+00 -0.471761D+00  0.199136D+01
      3   0.380940D-01  0.870447D+00 -0.252875D+00  0.156705D+01 -0.184603D+01
               441           442           443           444           445 
      1   0.156705D+01  0.175015D+00  0.349654D+00  0.101817D+01  0.749557D+00
      2  -0.184603D+01  0.349654D+00  0.851852D-01 -0.162429D+00  0.719140D+00
      3   0.618414D+01  0.101817D+01 -0.162429D+00  0.464564D+00  0.551401D+00
               446           447           448           449           450 
      1   0.719140D+00  0.551401D+00  0.100386D+01  0.329666D+00  0.100945D+01
      2   0.360387D+01  0.290890D+01  0.329666D+00  0.210436D+01  0.266392D+01
      3   0.290890D+01  0.429320D+01  0.100945D+01  0.266392D+01  0.506451D+01
               451           452           453           454           455 
      1  -0.618801D+01 -0.235309D+01  0.323305D+00 -0.204135D+01 -0.109401D+01
      2  -0.235309D+01 -0.136764D+01 -0.317160D+00 -0.109401D+01 -0.789478D+00
      3   0.323305D+00 -0.317160D+00 -0.230355D+01 -0.403163D-01  0.654080D+00
               456           457           458           459           460 
      1  -0.403163D-01 -0.300478D+00 -0.285451D+00 -0.132279D+01  0.330372D+01
      2   0.654080D+00 -0.285451D+00  0.381395D+00 -0.580224D+00 -0.189705D+01
      3  -0.800363D+00 -0.132279D+01 -0.580224D+00 -0.590521D-01  0.238433D+01
               461           462           463           464           465 
      1  -0.189705D+01  0.238433D+01 -0.261995D+01  0.192725D+01 -0.185076D+01
      2   0.157172D+01 -0.127825D+01  0.192725D+01 -0.263996D+01  0.240433D+01
      3  -0.127825D+01  0.291530D+01 -0.185076D+01  0.240433D+01 -0.267588D+01
               466           467           468           469           470 
      1   0.146485D+01 -0.884411D+00  0.210470D+01  0.100025D+01  0.650523D+00
      2  -0.884411D+00  0.145910D+01 -0.127146D+01  0.650523D+00  0.410296D+00
      3   0.210470D+01 -0.127146D+01  0.309225D+01  0.996297D+00  0.191415D+00
               471           472           473           474           475 
      1   0.996297D+00  0.196362D+01  0.241345D+01  0.121359D+01  0.248473D+01
      2   0.191415D+00  0.241345D+01  0.472642D+01  0.277395D+01  0.129469D+01
      3   0.499002D+00  0.121359D+01  0.277395D+01  0.252279D+01  0.193082D+01
               476           477           478           479           480 
      1   0.129469D+01  0.193082D+01  0.676606D+01 -0.218537D+01  0.210875D+01
      2   0.282130D+01  0.258134D+01 -0.218537D+01  0.126745D+01 -0.636055D+00
      3   0.258134D+01  0.311348D+01  0.210875D+01 -0.636055D+00  0.152315D+01
               481           482           483           484           485 
      1  -0.571596D+01  0.211894D+01 -0.178132D+01  0.282653D+01 -0.654141D+00
      2   0.211894D+01 -0.185915D+01  0.113412D+01 -0.654141D+00  0.943808D+00
      3  -0.178132D+01  0.113412D+01 -0.119105D+01  0.228700D+01 -0.343240D+00
               486           487           488           489           490 
      1   0.228700D+01  0.283623D+01  0.756405D+00 -0.162727D+01  0.806594D+00
      2  -0.343240D+00  0.756405D+00  0.828316D+00 -0.775988D+00  0.129004D+01
      3   0.151634D+01 -0.162727D+01 -0.775988D+00  0.144001D+01 -0.815642D+00
               491           492           493           494           495 
      1   0.129004D+01 -0.815642D+00 -0.326819D+01 -0.127715D+01  0.169849D+01
      2   0.141627D+01 -0.632821D+00 -0.127715D+01 -0.101256D+01  0.120040D+01
      3  -0.632821D+00  0.121434D+01  0.169849D+01  0.120040D+01 -0.382530D+01
               496           497           498           499           500 
      1   0.126064D+02  0.399800D+00 -0.339553D+01  0.279892D+00  0.109078D+01
      2   0.399800D+00  0.903104D+00 -0.101666D+00  0.109078D+01 -0.311215D+00
      3  -0.339553D+01 -0.101666D+00  0.212850D+01  0.342719D-01 -0.527736D+00
               501           502           503           504           505 
      1   0.342719D-01 -0.201351D+01 -0.102226D-01  0.180316D+01  0.371047D+00
      2  -0.527736D+00 -0.102226D-01  0.293711D+00 -0.118548D+00 -0.425065D+00
      3  -0.187527D+00  0.180316D+01 -0.118548D+00 -0.112078D+01 -0.102919D+01
               506           507           508           509           510 
      1  -0.425065D+00 -0.102919D+01 -0.609647D+00 -0.195020D+00  0.269540D+00
      2  -0.689356D+00 -0.587786D+00 -0.195020D+00 -0.181933D+01 -0.183208D+01
      3  -0.587786D+00 -0.179972D+01  0.269540D+00 -0.183208D+01 -0.297088D+01
               511           512           513           514           515 
      1  -0.818856D+00  0.215241D+00  0.118193D+00 -0.228702D+01  0.130053D+01
      2   0.215241D+00 -0.164363D+01 -0.236684D+01  0.130053D+01 -0.917518D+00
      3   0.118193D+00 -0.236684D+01 -0.622714D+01 -0.190125D+01  0.125389D+01
               516           517           518           519           520 
      1  -0.190125D+01  0.627087D+00 -0.176524D+00  0.359154D+00 -0.103096D+01
      2   0.125389D+01 -0.176524D+00  0.148432D+01 -0.149609D+01  0.596655D+00
      3  -0.342390D+01  0.359154D+00 -0.149609D+01  0.118316D+01 -0.173633D+01
               521           522           523           524           525 
      1   0.596655D+00 -0.173633D+01  0.471438D+01  0.338574D+01 -0.136060D+01
      2  -0.136036D+01  0.184096D+01  0.338574D+01  0.422701D+01 -0.871851D+00
      3   0.184096D+01 -0.490417D+01 -0.136060D+01 -0.871851D+00  0.102390D+01
               526           527           528           529           530 
      1   0.409226D+01  0.446877D+01 -0.134886D+01  0.322951D+00  0.146957D+00
      2   0.446877D+01  0.623072D+01 -0.197808D+01  0.146957D+00 -0.109857D+01
      3  -0.134886D+01 -0.197808D+01  0.161484D+01  0.541961D+00  0.113183D+01
               531           532           533           534           535 
      1   0.541961D+00  0.383656D+01 -0.287254D+01  0.393697D+00 -0.349830D+01
      2   0.113183D+01 -0.287254D+01  0.156574D+01 -0.385125D+00  0.252842D+01
      3  -0.642588D+00  0.393697D+00 -0.385125D+00  0.925488D+00 -0.398749D+00
               536           537           538           539           540 
      1   0.252842D+01 -0.398749D+00  0.731831D+00 -0.807431D+00  0.136072D+01
      2  -0.567067D+01  0.449409D+00 -0.807431D+00  0.427807D+00 -0.811218D+00
      3   0.449409D+00 -0.565623D+00  0.136072D+01 -0.811218D+00  0.524997D+00
               541           542           543           544           545 
      1   0.476705D+01  0.383179D+01  0.422694D+00  0.287627D+01  0.322112D+01
      2   0.383179D+01  0.485179D+01  0.812639D+00  0.322112D+01  0.577075D+01
      3   0.422694D+00  0.812639D+00  0.688475D+00  0.518137D+00  0.454180D+00
               546           547           548           549           550 
      1   0.518137D+00 -0.256102D-01  0.380316D+00  0.530144D+00 -0.312500D+01
      2   0.454180D+00  0.380316D+00 -0.105084D+00  0.102236D+01  0.241114D+01
      3   0.715450D+00  0.530144D+00  0.102236D+01  0.639114D+00 -0.111425D+01
               551           552           553           554           555 
      1   0.241114D+01 -0.111425D+01  0.183722D+01 -0.163943D+01  0.633742D+00
      2  -0.284208D+01  0.765974D+00 -0.163943D+01  0.371611D+01 -0.132320D+01
      3   0.765974D+00 -0.145255D+01  0.633742D+00 -0.132320D+01  0.702771D+00
               556           557           558           559           560 
      1  -0.172855D+01  0.104825D+01 -0.142660D+01 -0.128045D+01  0.795068D+00
      2   0.104825D+01 -0.277598D+01  0.127613D+01  0.795068D+00 -0.962773D+00
      3  -0.142660D+01  0.127613D+01 -0.139918D+01  0.126283D+01 -0.488789D+00
               561           562           563           564           565 
      1   0.126283D+01 -0.762393D-01 -0.498338D+00  0.364225D-01  0.117780D+01
      2  -0.488789D+00 -0.498338D+00 -0.743405D-01  0.872172D+00 -0.473481D+00
      3  -0.206537D+01  0.364225D-01  0.872172D+00  0.255877D+00 -0.157076D+01
               566           567 
      1  -0.473481D+00 -0.157076D+01
      2   0.199445D+01  0.184588D+01
      3   0.184588D+01  0.617131D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.125156D+01 -0.744756D+01 -0.110165D+01 -0.397115D+01  0.119145D+01
      2  -0.858933D+01  0.149477D+01  0.169247D+02 -0.445223D+01  0.494720D+01
      3   0.629336D+01 -0.734423D+01 -0.313893D+01 -0.117165D+02  0.489135D+00
                 6             7             8             9            10 
      1  -0.358710D+01  0.849750D+00  0.614124D+01 -0.835763D+01  0.786738D+00
      2   0.206711D+02  0.119772D+02  0.213619D+02  0.583752D+01 -0.833350D+00
      3  -0.244786D+01  0.578059D+01  0.894413D+01 -0.219579D+02 -0.346004D+01
                11            12            13            14            15 
      1   0.619050D+01  0.117597D+01  0.132264D+01  0.542278D+00 -0.511811D+01
      2   0.315044D+01 -0.632664D+01  0.477766D+01 -0.112443D+02 -0.209422D+02
      3   0.182946D+02 -0.616308D+01  0.366696D+02  0.455263D+01  0.106937D+02
                16            17            18            19            20 
      1   0.486404D+01  0.607777D+01  0.357583D+01 -0.926463D-01 -0.697906D+01
      2  -0.235705D+02 -0.188116D+02  0.465685D+00  0.369075D+01  0.462657D+01
      3  -0.107425D+02 -0.633193D+01  0.186604D+02 -0.291576D+02 -0.578818D+02
                21            22            23            24            25 
      1   0.180724D+00  0.799786D+00 -0.264325D+01 -0.820570D+00  0.761364D+01
      2   0.567953D+01 -0.107738D+02  0.812807D+01  0.689125D+01  0.641758D+01
      3  -0.525060D+01  0.390574D+02 -0.718325D+02 -0.932943D+01  0.901330D+01
                26            27            28            29            30 
      1   0.313073D+01  0.147208D+01 -0.518718D+01 -0.369402D+01  0.180117D+01
      2   0.293514D+01  0.355642D+01 -0.137384D+02  0.113523D+01 -0.914946D+01
      3  -0.841613D+01 -0.131129D+02  0.515895D+02 -0.532148D+02 -0.622474D+01
                31            32            33            34            35 
      1   0.690378D+01 -0.534181D+01  0.566862D+01  0.383479D+01  0.554100D+01
      2   0.712061D+01 -0.341458D+01 -0.286581D+01 -0.941205D+01  0.749927D+01
      3  -0.679231D+02 -0.168328D+02 -0.240126D+01  0.882431D+00 -0.104289D+02
                36            37            38            39            40 
      1   0.357172D+00  0.541318D+01 -0.313844D+01  0.333927D+01 -0.690903D+01
      2   0.105383D+01 -0.551588D+01  0.103967D+02 -0.550853D+01  0.111259D+02
      3  -0.127477D+02 -0.985159D+01 -0.186815D+01 -0.108073D+02  0.204814D+02
                41            42            43            44            45 
      1   0.471371D+01 -0.109747D+02  0.108232D+02  0.158266D+02 -0.505927D+01
      2  -0.295248D+01  0.913819D+01 -0.342798D+02 -0.837795D+01  0.733897D+01
      3   0.119689D+02  0.138503D+02 -0.186421D+02  0.106550D+02 -0.550933D+01
                46            47            48            49            50 
      1  -0.106195D+01  0.368631D+01 -0.855017D+01  0.608927D+01 -0.812206D+01
      2   0.723598D+01 -0.693301D+01  0.205055D+02  0.610521D+00  0.348980D+01
      3   0.166665D+02  0.278643D+01  0.641024D+01  0.132585D+02 -0.136892D+02
                51            52            53            54            55 
      1  -0.315682D+01 -0.133895D+02  0.202975D+01  0.665310D+01 -0.688423D+01
      2  -0.535510D+01  0.205116D+02 -0.182284D+01  0.185111D+00  0.143822D+02
      3  -0.969986D+01  0.712855D+01 -0.486254D+01  0.148139D+02  0.261205D+02
                56            57            58            59            60 
      1   0.612617D+01 -0.562898D+01  0.701328D+01 -0.579106D+00 -0.719184D+00
      2  -0.327900D+01  0.221582D+02 -0.645538D+01  0.157343D+02  0.159612D+02
      3  -0.925031D+01  0.111655D+02 -0.183921D+02 -0.120904D+02 -0.218455D+02
                61            62            63            64            65 
      1  -0.674867D+01  0.584733D+01  0.418697D+01  0.576167D+01  0.555981D+01
      2   0.162437D+02  0.131480D+02 -0.962043D+01  0.174497D+02 -0.272005D+01
      3   0.107042D+02 -0.184825D+02 -0.930484D+01 -0.743204D+02  0.366773D+02
                66            67            68            69            70 
      1   0.174651D+01 -0.153831D+01  0.704396D+00 -0.434681D+01  0.253655D+01
      2   0.107405D+02  0.467966D+01  0.209087D+01  0.374879D+01  0.726073D+01
      3   0.906371D+01 -0.263258D+02 -0.269406D+02 -0.194483D+01 -0.794337D+01
                71            72            73            74            75 
      1  -0.557768D+01 -0.119828D+01  0.345941D-02  0.408948D-03  0.126385D+01
      2   0.315459D+01  0.134738D+01 -0.721516D-01  0.630812D-02 -0.149294D+02
      3   0.251970D+01 -0.285092D+01  0.165089D+02  0.329243D+02 -0.104687D-01
                76            77            78            79            80 
      1   0.766121D-01 -0.128298D-02  0.156493D+01  0.441482D+01  0.203338D+02
      2   0.144782D-01 -0.184045D-01  0.224701D+00 -0.856721D+02  0.261504D+01
      3   0.196141D+03 -0.166793D+02 -0.329202D-01 -0.410741D-01 -0.397987D-01
                81            82            83            84            85 
      1  -0.227149D-02  0.901106D+01  0.143368D+00 -0.190092D+01  0.202151D+01
      2   0.846886D-02 -0.172629D+02 -0.575967D+01  0.102715D+02  0.791189D+01
      3   0.874184D+00  0.127822D+03  0.191864D+02  0.669938D+01 -0.394425D+02
                86            87            88            89            90 
      1   0.166680D+01 -0.291388D+01 -0.133981D+02 -0.663755D+01 -0.983779D+00
      2   0.621622D+00 -0.161723D+01 -0.253156D+01 -0.398196D+01 -0.160919D+01
      3   0.133600D+02 -0.306074D+00 -0.117147D+02 -0.344952D+01  0.541788D+01
                91            92            93            94            95 
      1  -0.738120D+01  0.107337D+01 -0.925103D+00 -0.485897D+01  0.727803D+01
      2   0.128143D+02  0.300008D+01 -0.101245D+02 -0.628506D+01 -0.116860D+02
      3  -0.115744D+03  0.437130D+01 -0.255471D+01  0.705156D+02  0.145238D+03
                96            97            98            99           100 
      1  -0.133021D+01 -0.540034D+01  0.120715D+02  0.169626D+01  0.165989D+01
      2  -0.907990D+01 -0.256675D+02 -0.235474D+02 -0.701026D+01 -0.866324D+00
      3   0.184858D+02  0.138129D+02  0.217614D+02  0.241753D+02  0.169328D+02
               101           102           103           104           105 
      1   0.248799D+01 -0.327075D+01 -0.172462D+01 -0.442858D+01  0.470519D+00
      2  -0.108757D+01 -0.291084D+01  0.787268D+01  0.488214D+01 -0.719298D+00
      3   0.162627D+02  0.466291D+00 -0.480851D+02 -0.429669D+02 -0.703967D+01
               106           107           108           109           110 
      1   0.569468D+01  0.131820D+02  0.609985D+00  0.679054D+01 -0.901797D+00
      2  -0.771939D+01  0.485708D+01 -0.172653D+01  0.452844D+01 -0.198976D+00
      3  -0.105739D+02 -0.154753D+01  0.614851D+00 -0.122977D+02 -0.186615D+02
               111           112           113           114           115 
      1   0.392220D+01 -0.399615D+01  0.461390D+01 -0.473666D+01  0.507728D+01
      2   0.515226D+01 -0.172782D+01  0.268405D+01 -0.302135D+01  0.285598D+01
      3  -0.544263D+01  0.905939D+01  0.161476D+02 -0.222413D+01 -0.613837D+01
               116           117           118           119           120 
      1  -0.458166D+01  0.131931D+02 -0.456177D+01  0.626900D+01 -0.117132D+02
      2  -0.376136D+01  0.128467D+02  0.120746D+01 -0.693216D+00  0.115952D+02
      3  -0.155235D+02 -0.362174D+00  0.113325D+02 -0.195233D+02  0.638378D+01
               121           122           123           124           125 
      1   0.376224D+01 -0.833999D+01  0.465254D+00 -0.113227D+02  0.984154D+01
      2  -0.193206D+01  0.651259D+01 -0.398274D+00  0.672268D+01  0.111748D+00
      3  -0.797680D+01 -0.641030D+01 -0.129749D+02  0.977942D+01 -0.136571D+02
               126           127           128           129           130 
      1   0.146822D+02  0.557979D+01 -0.479878D+01  0.639683D+01 -0.873840D+01
      2  -0.131570D+02 -0.420080D+01  0.670542D+01 -0.150162D+02  0.725481D+01
      3   0.149441D+02 -0.284552D+02  0.842715D+01 -0.125711D+02  0.322149D+02
               131           132           133           134           135 
      1   0.206862D+01 -0.208996D+01  0.917220D+01  0.439767D+01 -0.618926D+01
      2  -0.169688D+02 -0.205056D+02 -0.277338D+02 -0.236531D+02  0.136687D+02
      3   0.119890D+02  0.249243D+02 -0.953523D+01  0.219585D+02  0.151007D+02
               136           137           138           139           140 
      1   0.141909D+02 -0.249529D+01  0.689648D+01 -0.656703D+01  0.631672D-01
      2  -0.191994D+02 -0.504060D+01 -0.287568D+01 -0.633027D+01 -0.162102D+02
      3  -0.187411D+02  0.706493D+00 -0.833245D+01  0.120344D+02  0.520269D+01
               141           142           143           144           145 
      1  -0.165456D+02  0.439096D+01 -0.692958D+01 -0.777525D+01 -0.574419D+01
      2  -0.147820D+02 -0.881815D+01 -0.123149D+02  0.129185D+02 -0.174738D+02
      3   0.181504D+02 -0.440156D+01  0.147260D+02  0.867259D+01 -0.743488D+02
               146           147           148           149           150 
      1  -0.552307D+01  0.174250D+01  0.150479D+01 -0.756802D+00 -0.433814D+01
      2   0.275080D+01  0.107392D+02 -0.471641D+01 -0.210125D+01  0.374885D+01
      3   0.366677D+02 -0.906681D+01 -0.263417D+02 -0.269133D+02  0.196886D+01
               151           152           153           154           155 
      1   0.255328D+01 -0.557055D+01  0.119940D+01  0.521244D+01  0.367469D+01
      2   0.727997D+01  0.314576D+01 -0.135890D+01  0.137868D+02 -0.115725D+01
      3   0.800707D+01 -0.247156D+01 -0.284693D+01  0.517300D+02 -0.532174D+02
               156           157           158           159           160 
      1   0.180646D+01 -0.693662D+01  0.539169D+01  0.565866D+01  0.385592D+01
      2  -0.914161D+01 -0.710265D+01  0.344246D+01 -0.286908D+01 -0.942795D+01
      3   0.622466D+01 -0.679209D+02 -0.168868D+02  0.241783D+01 -0.881716D+00
               161           162           163           164           165 
      1   0.553411D+01 -0.355049D+00 -0.544612D+01  0.312143D+01  0.333095D+01
      2   0.750206D+01 -0.107466D+01  0.556281D+01 -0.103792D+02 -0.548315D+01
      3   0.104628D+02 -0.127615D+02 -0.991209D+01 -0.185999D+01  0.108149D+02
               166           167           168           169           170 
      1   0.689786D+01 -0.470799D+01 -0.109503D+02  0.107960D+02  0.158512D+02
      2  -0.110968D+02  0.294717D+01  0.909503D+01 -0.342342D+02 -0.841470D+01
      3   0.204848D+02  0.119519D+02 -0.138403D+02  0.186863D+02 -0.106524D+02
               171           172           173           174           175 
      1   0.509621D+01  0.691329D+01 -0.611688D+01 -0.561574D+01 -0.698975D+01
      2  -0.739823D+01 -0.144379D+02  0.324262D+01  0.221013D+02  0.637581D+01
      3  -0.544581D+01  0.261745D+02 -0.924258D+01 -0.111431D+02 -0.183795D+02
               176           177           178           179           180 
      1   0.585161D+00 -0.746111D+00 -0.672163D+01  0.582143D+01 -0.420909D+01
      2  -0.157140D+02  0.160105D+02  0.161624D+02  0.131833D+02  0.969425D+01
      3  -0.120553D+02  0.218024D+02 -0.106393D+02  0.185014D+02 -0.937872D+01
               181           182           183           184           185 
      1  -0.791463D+00 -0.620354D+01  0.118221D+01 -0.132914D+01 -0.553191D+00
      2   0.871342D+00 -0.313866D+01 -0.630602D+01 -0.474608D+01  0.112061D+02
      3  -0.352339D+01  0.182923D+02  0.614544D+01  0.366743D+02  0.457697D+01
               186           187           188           189           190 
      1  -0.511422D+01  0.487140D+01  0.606877D+01 -0.358360D+01  0.843777D-01
      2  -0.209663D+02 -0.235586D+02 -0.188353D+02 -0.508690D+00 -0.368126D+01
      3  -0.106439D+02  0.107259D+02  0.638581D+01  0.186771D+02 -0.291658D+02
               191           192           193           194           195 
      1   0.696927D+01  0.181750D+00 -0.775586D+00  0.260507D+01 -0.815688D+00
      2  -0.461220D+01  0.568023D+01  0.107835D+02 -0.815489D+01  0.690768D+01
      3  -0.578836D+02  0.525091D+01  0.390841D+02 -0.718728D+02  0.932190D+01
               196           197           198           199           200 
      1   0.762084D+01  0.315136D+01 -0.146843D+01  0.123656D+01  0.744971D+01
      2   0.641147D+01  0.293511D+01 -0.356804D+01  0.850296D+01 -0.151737D+01
      3  -0.907675D+01  0.837789D+01 -0.131148D+02  0.633078D+01 -0.731570D+01
               201           202           203           204           205 
      1  -0.112525D+01  0.398009D+01 -0.117378D+01 -0.358453D+01  0.834326D+00
      2   0.169206D+02  0.443262D+01 -0.491205D+01  0.206800D+02  0.119853D+02
      3   0.317397D+01 -0.117152D+02  0.453460D+00  0.241021D+01 -0.573382D+01
               206           207           208           209           210 
      1   0.616028D+01  0.837056D+01  0.109575D+01 -0.368658D+01 -0.853031D+01
      2   0.213717D+02 -0.579803D+01 -0.728615D+01  0.691851D+01  0.204763D+02
      3  -0.896840D+01 -0.219494D+02  0.166873D+02  0.278234D+01 -0.643084D+01
               211           212           213           214           215 
      1  -0.609115D+01  0.812662D+01 -0.317425D+01 -0.133788D+02  0.201067D+01
      2  -0.619754D+00 -0.350430D+01 -0.532950D+01  0.204910D+02 -0.178479D+01
      3   0.132681D+02 -0.136633D+02  0.971626D+01 -0.716047D+01  0.488105D+01
               216           217           218           219           220 
      1  -0.669216D+01 -0.141926D+02  0.254595D+01  0.685139D+01  0.662097D+01
      2  -0.101175D+00  0.192465D+02  0.509909D+01 -0.283528D+01  0.638239D+01
      3   0.147630D+02 -0.187732D+02  0.773050D+00  0.828186D+01  0.121080D+02
               221           222           223           224           225 
      1  -0.110007D+00 -0.165348D+02  0.433962D+01 -0.692739D+01  0.781930D+01
      2   0.161717D+02 -0.148031D+02 -0.875152D+01 -0.123413D+02 -0.129352D+02
      3   0.514202D+01 -0.181645D+02  0.434639D+01 -0.147306D+02  0.874661D+01
               226           227           228           229           230 
      1  -0.560639D+01  0.478170D+01  0.638047D+01  0.870702D+01 -0.207086D+01
      2   0.427100D+01 -0.665956D+01 -0.149646D+02 -0.718749D+01  0.169305D+02
      3  -0.285256D+02  0.844471D+01  0.125492D+02  0.322278D+02  0.119863D+02
               231           232           233           234           235 
      1  -0.203864D+01  0.914646D+01  0.443964D+01  0.621542D+01  0.461745D+01
      2  -0.205700D+02 -0.276556D+02 -0.237104D+02 -0.137270D+02 -0.122795D+01
      3  -0.248589D+02  0.949189D+01 -0.219238D+02  0.151871D+02  0.114057D+02
               236           237           238           239           240 
      1  -0.625133D+01 -0.116856D+02 -0.374694D+01  0.834235D+01  0.432463D+00
      2   0.665892D+00  0.115604D+02  0.191348D+01 -0.651239D+01 -0.364080D+00
      3  -0.195102D+02 -0.640786D+01 -0.797849D+01 -0.639194D+01  0.129601D+02
               241           242           243           244           245 
      1  -0.113010D+02  0.980304D+01 -0.147489D+02  0.735008D+01 -0.105135D+01
      2   0.668503D+01  0.144682D+00  0.132051D+02 -0.128245D+02 -0.299378D+01
      3  -0.982269D+01  0.136182D+02  0.148783D+02 -0.115735D+03  0.430737D+01
               246           247           248           249           250 
      1  -0.918734D+00  0.484922D+01 -0.727788D+01 -0.133142D+01 -0.538677D+01
      2  -0.101214D+02  0.624398D+01  0.116934D+02 -0.909144D+01 -0.256309D+02
      3   0.256615D+01  0.703527D+02  0.145308D+03 -0.184794D+02 -0.137912D+02
               251           252           253           254           255 
      1   0.120810D+02 -0.169903D+01 -0.165931D+01 -0.249443D+01 -0.327226D+01
      2  -0.235430D+02  0.700436D+01  0.869524D+00  0.108039D+01 -0.291291D+01
      3  -0.217428D+02  0.241707D+02  0.169279D+02  0.162959D+02 -0.470787D+00
               256           257           258           259           260 
      1   0.171738D+01  0.442996D+01  0.469267D+00  0.568368D+01  0.131814D+02
      2  -0.786606D+01 -0.488403D+01 -0.725513D+00 -0.772719D+01  0.485593D+01
      3  -0.480527D+02 -0.429960D+02  0.703832D+01  0.105772D+02  0.156971D+01
               261           262           263           264           265 
      1  -0.617324D+00 -0.679200D+01  0.902548D+00  0.392647D+01  0.399349D+01
      2   0.172098D+01 -0.452623D+01  0.205308D+00  0.515639D+01  0.173020D+01
      3   0.613712D+00 -0.123011D+02 -0.187069D+02  0.543880D+01  0.904205D+01
               266           267           268           269           270 
      1  -0.460965D+01 -0.474018D+01  0.507816D+01 -0.458041D+01 -0.131875D+02
      2  -0.267510D+01 -0.301684D+01  0.285719D+01 -0.376229D+01 -0.128444D+02
      3   0.160943D+02  0.221263D+01  0.612383D+01  0.155031D+02 -0.363672D+00
               271           272           273           274           275 
      1  -0.900354D+01 -0.138776D+00 -0.190915D+01 -0.204287D+01 -0.163729D+01
      2   0.172801D+02  0.574369D+01  0.102784D+02 -0.788526D+01 -0.612445D+00
      3   0.127856D+03  0.192220D+02 -0.670755D+01 -0.393783D+02  0.133670D+02
               276           277           278           279           280 
      1  -0.291839D+01 -0.133962D+02 -0.665440D+01  0.985791D+00  0.729830D+01
      2  -0.161743D+01 -0.255624D+01 -0.398942D+01  0.160680D+01  0.408015D+00
      3   0.324685D+00  0.116828D+02  0.344473D+01  0.542734D+01 -0.146181D+02
               281           282           283           284           285 
      1   0.229422D+01  0.449945D+01 -0.185086D+01  0.128922D+01 -0.116887D+01
      2  -0.310877D+01  0.561113D+01  0.462709D+00  0.251839D+01 -0.103593D+01
      3  -0.210966D+02 -0.127603D+01  0.241372D+01  0.425429D+01 -0.412807D+01
               286           287           288           289           290 
      1   0.566356D+01  0.104400D+00  0.112484D+02  0.173786D+00 -0.284348D+00
      2   0.196435D+01 -0.287956D+01  0.107589D+02  0.403390D+01  0.225012D+01
      3  -0.503444D+01 -0.100162D+02 -0.175429D+01  0.248499D+02  0.123417D+02
               291           292           293           294           295 
      1  -0.352060D+01 -0.808530D+00 -0.119718D+01 -0.600264D+01 -0.296522D+01
      2  -0.130634D+00  0.306156D+01  0.417249D+01 -0.106456D+01 -0.352156D+01
      3  -0.310400D+01  0.223645D+02  0.275778D+02 -0.410260D+01 -0.440590D+01
               296           297           298           299           300 
      1  -0.309300D+01  0.291578D+01 -0.174260D+00  0.280496D+00 -0.352177D+01
      2  -0.407929D+01  0.268151D+01 -0.403885D+01 -0.225343D+01 -0.138183D+00
      3  -0.335849D+01  0.800878D+01  0.248597D+02  0.123285D+02  0.311040D+01
               301           302           303           304           305 
      1   0.805967D+00  0.119469D+01 -0.599647D+01 -0.296803D+01 -0.309191D+01
      2  -0.306300D+01 -0.416497D+01 -0.107083D+01 -0.352254D+01 -0.407453D+01
      3   0.223669D+02  0.275501D+02  0.409193D+01  0.440517D+01  0.335428D+01
               306           307           308           309           310 
      1  -0.291675D+01 -0.729733D+01 -0.229290D+01  0.449918D+01  0.185799D+01
      2  -0.268366D+01 -0.398603D+00  0.311508D+01  0.561196D+01 -0.458203D+00
      3   0.800610D+01 -0.146316D+02 -0.210886D+02  0.127183D+01  0.242081D+01
               311           312           313           314           315 
      1  -0.127718D+01 -0.117301D+01  0.565997D+01  0.996701D-01 -0.112404D+02
      2  -0.251752D+01 -0.103298D+01  0.195993D+01 -0.287965D+01 -0.107481D+02
      3   0.425995D+01  0.411679D+01  0.503667D+01  0.999656D+01 -0.175566D+01
               316           317           318           319           320 
      1   0.140194D+01  0.554648D+01 -0.233262D+01  0.196653D+01  0.414023D+01
      2  -0.151370D+01 -0.131584D+01  0.487550D+01  0.114417D+01  0.373283D+01
      3  -0.416969D+01 -0.137343D+02 -0.126058D+01 -0.897517D+01 -0.196141D+02
               321           322           323           324           325 
      1  -0.396718D+01  0.214537D+00  0.230664D+00  0.901431D+00 -0.223515D+01
      2   0.718800D+01  0.816981D+00  0.472701D+01  0.253287D+01  0.155891D+02
      3  -0.626879D+01 -0.585194D+00 -0.582254D+01 -0.427028D+01 -0.135975D+02
               326           327           328           329           330 
      1  -0.957504D-02  0.680422D+01 -0.100990D+00 -0.114106D+01 -0.123496D+01
      2  -0.742236D+01 -0.175669D+02 -0.288115D+01  0.764747D+01  0.592476D+01
      3   0.629532D+01  0.109731D+02  0.385750D+01 -0.720481D+01 -0.791617D+01
               331           332           333           334           335 
      1   0.304382D+01 -0.244375D+00 -0.813495D+01 -0.643157D+00  0.334790D+01
      2  -0.125232D+02  0.977808D+01  0.250085D+02 -0.401536D+01 -0.186562D+00
      3   0.644301D+01 -0.752590D+01 -0.137860D+02 -0.195588D-01 -0.847115D+01
               336           337           338           339           340 
      1  -0.796584D+00  0.280716D+01  0.100458D+01 -0.653807D+00 -0.211485D+00
      2   0.945737D+01 -0.126744D+01  0.653845D+00 -0.893255D+00  0.628706D+01
      3   0.639246D+00 -0.444339D+01  0.131442D+01 -0.262741D+01  0.122229D+01
               341           342           343           344           345 
      1   0.718786D+00 -0.157405D+01 -0.136317D+01 -0.267262D+01  0.135013D+01
      2  -0.101838D+01  0.355434D+01  0.648016D+01  0.417685D+01 -0.110981D+02
      3   0.789774D+00  0.130938D+01  0.245237D+01  0.349196D+01 -0.329070D+01
               346           347           348           349           350 
      1  -0.121858D+01 -0.595419D+01  0.337002D+01 -0.887467D+00  0.550095D+01
      2   0.849135D+00  0.109282D+02 -0.161854D+02 -0.350638D+01 -0.130428D+02
      3   0.313570D+01  0.112125D+02 -0.103149D+02  0.229509D+00 -0.884889D+01
               351           352           353           354           355 
      1  -0.664015D+01 -0.122680D+01 -0.253814D+00  0.178297D+01  0.116805D+01
      2   0.339736D+02 -0.262333D+01  0.183043D+01  0.613233D+01  0.256578D+01
      3   0.140671D+02  0.114495D+02 -0.852836D+01 -0.160302D+01 -0.917061D+01
               356           357           358           359           360 
      1  -0.882373D+00 -0.244147D+01  0.463080D-01  0.193347D+01 -0.993444D+00
      2  -0.239827D+01 -0.396027D+01  0.578791D+01 -0.388657D+01 -0.290731D+01
      3   0.315211D+02  0.209684D+01 -0.396149D+01  0.233750D+01  0.412515D+01
               361           362           363           364           365 
      1   0.753837D+01  0.352787D+01  0.754762D+00  0.461234D+01  0.368347D+01
      2  -0.240838D+02 -0.734471D+01 -0.796527D+01 -0.752357D+01 -0.695896D+01
      3   0.956954D+01  0.351376D+01 -0.162840D+01  0.580356D+01  0.325112D+01
               366           367           368           369           370 
      1   0.874623D+00  0.632683D+00  0.241979D+01  0.121007D+01 -0.390586D+00
      2  -0.260068D+01 -0.638931D+01 -0.141168D+01 -0.335606D+01 -0.499442D+01
      3   0.248445D+01 -0.106122D+01  0.137236D+01  0.198434D+01 -0.933770D+00
               371           372           373           374           375 
      1  -0.914957D+00 -0.847560D+00 -0.162290D+01 -0.118698D+02  0.425276D+01
      2   0.197035D+01  0.550119D+00  0.126430D+01 -0.122801D+02  0.194017D+02
      3  -0.878595D+00 -0.143627D+01 -0.964354D+00 -0.161133D+02  0.127015D+02
               376           377           378           379           380 
      1   0.240729D+00  0.751448D+01 -0.424446D+01  0.784657D+01 -0.655752D+01
      2   0.216581D+00  0.116067D+02 -0.215473D+02 -0.240258D+01  0.632757D+00
      3  -0.330798D+00  0.916086D+01 -0.112893D+02  0.933181D+01 -0.924583D+01
               381           382           383           384           385 
      1  -0.499019D+01 -0.708488D+01  0.111335D+02  0.729012D+01 -0.417972D+01
      2   0.955215D+01 -0.125707D+00 -0.703310D+01 -0.829038D+01  0.363109D+01
      3  -0.718266D+01 -0.751059D+01  0.144013D+02  0.117154D+02 -0.354854D+01
               386           387           388           389           390 
      1   0.638014D+01  0.558962D+01 -0.345727D+01 -0.158849D+01 -0.364519D+01
      2  -0.353385D+01 -0.932630D+01  0.126406D+02  0.597062D+01  0.129976D+02
      3   0.753336D+01  0.682382D+01  0.670011D-01 -0.503571D+01 -0.235592D+01
               391           392           393           394           395 
      1  -0.261351D+01 -0.191425D+01 -0.416465D+01 -0.371074D+01 -0.176033D+01
      2   0.576756D+01  0.541693D+01  0.100516D+02  0.121180D+02  0.929211D+01
      3  -0.579793D+01 -0.758092D+01 -0.357365D+01 -0.245630D+01 -0.622811D+01
               396           397           398           399           400 
      1  -0.956954D+01  0.631555D+01 -0.339148D+01 -0.263834D+01 -0.613520D+01
      2   0.317407D+02 -0.587071D+01  0.248377D+01  0.968228D+01  0.526677D+01
      3  -0.570006D+01  0.244089D+02 -0.142562D+02 -0.796385D+01 -0.218884D+02
               401           402           403           404           405 
      1   0.485645D+01  0.196834D+01 -0.454920D+01  0.262964D+01  0.254645D+01
      2  -0.517955D+01 -0.732006D+01  0.103545D+02 -0.149269D+01 -0.776053D+01
      3   0.179630D+02  0.106294D+02 -0.848745D+01  0.843452D+01  0.595611D+01
               406           407           408           409           410 
      1   0.896696D+00 -0.558395D+00 -0.689147D+00 -0.885554D+00 -0.221494D+01
      2  -0.592452D+01 -0.917563D+00  0.294023D+01 -0.480724D+01 -0.166530D+02
      3  -0.281010D+01 -0.300208D+01 -0.295261D+00 -0.109513D+02 -0.297456D+02
               411           412           413           414           415 
      1  -0.285778D+01 -0.165980D+01  0.814276D+00  0.306223D+01 -0.640088D+01
      2   0.167452D+02  0.802892D+01  0.160239D+02 -0.189980D+02  0.142129D+01
      3   0.173413D+02  0.339916D+01  0.184392D+02 -0.147078D+02 -0.244911D+02
               416           417           418           419           420 
      1   0.465427D+01  0.717357D+01  0.433679D+01 -0.716910D+01 -0.509807D+01
      2  -0.484913D+00 -0.242031D+01 -0.684696D+00  0.272132D+01  0.813233D+00
      3   0.188517D+02  0.814620D+01  0.164459D+02 -0.200014D+02 -0.790076D+01
               421           422           423           424           425 
      1   0.618851D+01 -0.494435D+01 -0.681498D+01 -0.985609D+00 -0.584786D-01
      2  -0.466080D+01  0.318833D+01  0.276210D+01  0.207544D+01 -0.296761D+00
      3   0.126403D+02 -0.139721D+02 -0.109675D+02  0.513966D+01 -0.586823D+01
               426           427           428           429           430 
      1  -0.357446D+01 -0.331123D+00 -0.265662D+01 -0.351770D+01 -0.147885D+01
      2   0.371132D+01  0.910677D+00  0.515012D+00  0.289309D+01  0.738649D+00
      3   0.169906D+01  0.125474D+01 -0.108132D+02 -0.356989D+00  0.121416D+01
               431           432           433           434           435 
      1  -0.227626D+01  0.167814D+01  0.405587D+01 -0.429087D+00  0.769577D+01
      2   0.302260D+01 -0.190779D+01 -0.660276D+01  0.209530D+01 -0.732255D+01
      3  -0.239979D+01 -0.215415D+01 -0.843450D+01  0.560304D+01 -0.728215D+01
               436           437           438           439           440 
      1   0.138219D+00  0.327770D+01 -0.389785D+00  0.559140D+01 -0.195309D+01
      2  -0.260986D+00 -0.326187D+01  0.113037D+01 -0.907811D+01  0.690567D+01
      3   0.310871D+01 -0.145735D+01  0.299416D+01 -0.800556D+01  0.824082D+01
               441           442           443           444           445 
      1   0.234334D+02  0.393637D+00  0.871420D+00 -0.852824D+00  0.159374D+01
      2  -0.211927D+02  0.500091D+01 -0.199858D+01  0.510850D+00 -0.129312D+01
      3  -0.146918D+02 -0.935639D+00 -0.830839D+00  0.145802D+01 -0.922301D+00
               446           447           448           449           450 
      1   0.119102D+02  0.424657D+01  0.231742D+00  0.750662D+01  0.424492D+01
      2   0.123024D+02  0.193996D+02  0.185438D+00  0.116014D+02  0.215163D+02
      3  -0.161383D+02 -0.126924D+02  0.358156D+00 -0.913851D+01 -0.112748D+02
               451           452           453           454           455 
      1  -0.754899D+01 -0.353210D+01  0.742158D+00 -0.462561D+01 -0.368609D+01
      2   0.240544D+02  0.732765D+01 -0.793198D+01  0.752295D+01  0.695782D+01
      3   0.957177D+01  0.352747D+01  0.164991D+01  0.581502D+01  0.324595D+01
               456           457           458           459           460 
      1   0.870325D+00  0.622574D+00  0.241695D+01 -0.121048D+01 -0.783139D+01
      2  -0.260078D+01 -0.636492D+01 -0.141383D+01  0.331838D+01  0.239869D+01
      3  -0.247391D+01  0.108798D+01 -0.135668D+01  0.199881D+01  0.929791D+01
               461           462           463           464           465 
      1   0.654612D+01 -0.500206D+01  0.706096D+01 -0.111115D+02  0.730159D+01
      2  -0.643080D+00  0.957013D+01  0.118895D+00  0.704080D+01 -0.829002D+01
      3  -0.922160D+01  0.718247D+01 -0.746227D+01  0.143739D+02 -0.116999D+02
               466           467           468           469           470 
      1  -0.418376D+01  0.639353D+01 -0.561786D+01 -0.888031D+00  0.560872D+00
      2   0.363628D+01 -0.354198D+01  0.938829D+01  0.591575D+01  0.904516D+00
      3   0.352975D+01 -0.758338D+01  0.683171D+01 -0.281156D+01 -0.298915D+01
               471           472           473           474           475 
      1  -0.688839D+00  0.894660D+00  0.223538D+01 -0.284132D+01 -0.165784D+01
      2   0.294133D+01  0.479744D+01  0.166609D+02  0.167455D+02  0.803535D+01
      3   0.301411D+00 -0.109433D+02 -0.297563D+02 -0.173552D+02 -0.339484D+01
               476           477           478           479           480 
      1   0.828254D+00 -0.305007D+01 -0.632105D+01  0.339873D+01 -0.264487D+01
      2   0.160182D+02  0.189988D+02  0.588673D+01 -0.249395D+01  0.968488D+01
      3  -0.184383D+02 -0.147032D+02  0.243591D+02 -0.142322D+02  0.797822D+01
               481           482           483           484           485 
      1   0.615085D+01 -0.487516D+01  0.198585D+01 -0.456033D+01  0.264584D+01
      2  -0.529549D+01  0.520723D+01 -0.735029D+01  0.103739D+02 -0.151635D+01
      3  -0.218719D+02  0.179736D+02 -0.106708D+02  0.850907D+01 -0.846315D+01
               486           487           488           489           490 
      1  -0.256292D+01  0.346283D+01  0.158738D+01 -0.365057D+01  0.261714D+01
      2   0.781567D+01 -0.126842D+02 -0.597431D+01  0.130300D+02 -0.577535D+01
      3   0.599005D+01  0.708187D-01 -0.504226D+01  0.234992D+01 -0.580270D+01
               491           492           493           494           495 
      1   0.190973D+01 -0.415126D+01 -0.371700D+01 -0.175218D+01  0.954665D+01
      2  -0.539933D+01  0.100226D+02  0.121527D+02  0.926309D+01 -0.317093D+02
      3  -0.756142D+01  0.355232D+01  0.245450D+01  0.621041D+01 -0.566461D+01
               496           497           498           499           500 
      1   0.646725D+00 -0.334442D+01 -0.792929D+00 -0.280322D+01 -0.100146D+01
      2   0.405203D+01  0.186587D+00  0.945379D+01  0.127078D+01 -0.647986D+00
      3   0.230776D-02 -0.846688D+01 -0.648136D+00 -0.444782D+01  0.131693D+01
               501           502           503           504           505 
      1  -0.657744D+00 -0.210075D+00  0.715016D+00  0.157066D+01  0.136322D+01
      2  -0.898189D+00  0.628463D+01 -0.102439D+01 -0.352481D+01 -0.645742D+01
      3   0.261898D+01 -0.123301D+01 -0.803840D+00  0.131687D+01  0.245857D+01
               506           507           508           509           510 
      1   0.266829D+01  0.134095D+01  0.120966D+01  0.594480D+01  0.336736D+01
      2  -0.416786D+01 -0.110734D+02 -0.835342D+00 -0.109409D+02 -0.161889D+02
      3   0.349232D+01  0.328391D+01  0.312252D+01  0.112330D+02  0.103391D+02
               511           512           513           514           515 
      1  -0.893519D+00  0.550572D+01  0.662391D+01  0.222694D+01  0.986541D-02
      2  -0.347718D+01 -0.130557D+02 -0.339918D+02 -0.155564D+02  0.742179D+01
      3  -0.243242D+00  0.887289D+01  0.140840D+02 -0.135584D+02  0.628402D+01
               516           517           518           519           520 
      1   0.680213D+01  0.100818D+00  0.114038D+01 -0.123861D+01  0.303447D+01
      2  -0.175809D+02  0.287580D+01 -0.765642D+01  0.594485D+01 -0.125156D+02
      3  -0.109598D+02  0.384547D+01 -0.720032D+01  0.792777D+01 -0.643634D+01
               521           522           523           524           525 
      1  -0.246152D+00  0.815221D+01 -0.141486D+01 -0.555110D+01 -0.232915D+01
      2   0.980220D+01 -0.250857D+02  0.152100D+01  0.131971D+01  0.487671D+01
      3   0.753074D+01 -0.138067D+02 -0.418404D+01 -0.137516D+02  0.126106D+01
               526           527           528           529           530 
      1  -0.197153D+01 -0.414541D+01 -0.396454D+01  0.219046D+00  0.225382D+00
      2  -0.114452D+01 -0.371733D+01  0.718500D+01  0.819234D+00  0.472870D+01
      3  -0.898905D+01 -0.195918D+02  0.624952D+01  0.594349D+00  0.580137D+01
               531           532           533           534           535 
      1  -0.904058D+00  0.122400D+01  0.255926D+00  0.178251D+01 -0.116559D+01
      2  -0.253059D+01  0.261678D+01 -0.184237D+01  0.612839D+01 -0.257417D+01
      3  -0.427443D+01  0.114342D+02 -0.853414D+01  0.161631D+01 -0.917071D+01
               536           537           538           539           540 
      1   0.871345D+00 -0.244209D+01  0.497525D-01  0.193037D+01  0.993162D+00
      2   0.240529D+01 -0.396289D+01  0.578616D+01 -0.389345D+01  0.292778D+01
      3   0.314799D+02 -0.210928D+01  0.396811D+01 -0.234828D+01  0.413181D+01
               541           542           543           544           545 
      1   0.965662D+00  0.438671D-01 -0.357429D+01  0.318194D+00  0.264330D+01
      2  -0.206141D+01  0.306847D+00  0.371099D+01 -0.899244D+00 -0.506557D+00
      3   0.514388D+01 -0.587374D+01 -0.169098D+01  0.125001D+01 -0.107996D+02
               546           547           548           549           550 
      1  -0.351691D+01 -0.147915D+01 -0.227844D+01 -0.168301D+01  0.638879D+01
      2   0.289410D+01  0.737715D+00  0.302809D+01  0.190957D+01 -0.144393D+01
      3   0.362812D+00 -0.120036D+01  0.239377D+01 -0.215903D+01 -0.244134D+02
               551           552           553           554           555 
      1  -0.465612D+01  0.717911D+01 -0.433765D+01  0.718240D+01 -0.511927D+01
      2   0.505392D+00 -0.243268D+01  0.701573D+00 -0.274765D+01  0.826953D+00
      3   0.188383D+02 -0.815812D+01  0.164371D+02 -0.200186D+02  0.793364D+01
               556           557           558           559           560 
      1   0.619208D+01 -0.496660D+01  0.685141D+01 -0.407129D+01  0.440380D+00
      2  -0.467537D+01  0.320844D+01 -0.279480D+01  0.661613D+01 -0.209987D+01
      3  -0.126369D+02  0.140127D+02 -0.109984D+02 -0.845740D+01  0.561667D+01
               561           562           563           564           565 
      1   0.770767D+01 -0.130045D+00 -0.328926D+01 -0.400012D+00  0.560686D+01
      2  -0.733502D+01  0.255929D+00  0.326592D+01  0.114168D+01 -0.908855D+01
      3   0.730430D+01  0.311801D+01 -0.146565D+01 -0.300695D+01  0.802543D+01
               566           567 
      1  -0.195020D+01 -0.233993D+02
      2   0.690878D+01  0.211538D+02
      3  -0.825740D+01 -0.147072D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.974485D+02 -0.136761D+02  0.264538D+02 -0.110315D+02  0.297793D+02
      2   0.577709D+02  0.164849D+02 -0.786885D+01  0.685240D+01 -0.186475D+02
      3   0.396776D+02 -0.280890D+01 -0.185850D+02  0.417907D+01 -0.111319D+02
      4  -0.928403D+01  0.119038D+02  0.622348D+01  0.224524D+02 -0.875931D+01
      5   0.369371D+02  0.734675D+01  0.124537D+02 -0.267146D+00 -0.273283D+01
      6   0.635854D-01 -0.491324D+01 -0.254772D+01 -0.498394D+01  0.235277D+01
                 6             7             8             9            10 
      1   0.969238D+01 -0.727593D+00  0.508061D+01  0.248822D+02 -0.675012D+01
      2   0.482052D+01  0.824529D+01  0.756817D+01 -0.847728D+01  0.664635D+01
      3  -0.145129D+02 -0.751769D+01 -0.126488D+02 -0.164049D+02  0.103764D+00
      4   0.280242D+01 -0.470601D+01 -0.346602D+01  0.318416D+02  0.869688D+01
      5   0.322778D+02  0.246520D+02  0.331065D+02 -0.417438D+01 -0.179300D+01
      6  -0.227717D-01  0.290756D+01  0.218146D+01 -0.113261D+02  0.231620D+01
                11            12            13            14            15 
      1   0.691387D+01 -0.608518D+01  0.162201D+02 -0.395074D+02  0.928738D+01
      2  -0.378462D+00  0.296852D+01 -0.356031D+01  0.221618D+02 -0.734577D+01
      3  -0.653541D+01  0.311666D+01 -0.126598D+02  0.173456D+02 -0.194161D+01
      4  -0.285869D+02  0.742603D+01 -0.468413D+02  0.365867D+01 -0.213262D+02
      5   0.119664D+02 -0.185890D+02  0.132880D+02 -0.189027D+02 -0.395436D+02
      6   0.236309D+01 -0.206639D+01 -0.105666D+01 -0.876861D+00 -0.683742D+01
                16            17            18            19            20 
      1   0.350317D+01  0.108071D+02 -0.297475D+02  0.712877D+02  0.532330D+02
      2  -0.703385D+01 -0.931335D+01  0.208808D+02 -0.479245D+02 -0.422402D+02
      3   0.353069D+01 -0.149377D+01  0.886671D+01 -0.233631D+02 -0.109928D+02
      4   0.781892D+01 -0.925236D+01 -0.299913D+02  0.407292D+02  0.770482D+02
      5  -0.455396D+02 -0.336903D+02  0.495224D+01 -0.379439D+01  0.290167D+01
      6  -0.599785D+01 -0.604163D+01  0.707699D+00 -0.122872D+01 -0.583477D+01
                21            22            23            24            25 
      1   0.337885D+01  0.142532D+02  0.317019D+02 -0.148330D+01 -0.429174D+01
      2  -0.260618D+01 -0.490605D+01 -0.119635D+02  0.151039D+01  0.273480D+01
      3  -0.772663D+00 -0.934713D+01 -0.197384D+02 -0.270878D-01  0.155695D+01
      4   0.709986D+01  0.291901D+02  0.959612D+02  0.147373D+02  0.607264D+00
      5   0.144913D+02 -0.329313D+01  0.124024D+02  0.156587D+02  0.305103D+02
      6  -0.549943D+00  0.117703D+01 -0.410954D+01  0.737038D+01 -0.501165D+00
                26            27            28            29            30 
      1   0.106950D+01  0.155023D+02 -0.724280D+01  0.229545D+02 -0.468132D+00
      2  -0.101111D+01 -0.171479D+02  0.514980D+00 -0.196580D+02 -0.175748D+01
      3  -0.583820D-01  0.164554D+01  0.672782D+01 -0.329647D+01  0.222561D+01
      4   0.127781D+02  0.112942D+02  0.459277D+01  0.454270D+02  0.745106D+00
      5   0.164760D+02  0.595578D+01 -0.680638D+01 -0.257847D+01 -0.128080D+02
      6   0.760737D+01  0.106748D+01 -0.108071D+02 -0.830101D+01  0.135910D+00
                31            32            33            34            35 
      1   0.501251D+02  0.467806D+02  0.939653D+00  0.786135D+01 -0.200404D+01
      2  -0.479096D+02 -0.469363D+02  0.952792D+00 -0.100894D+02 -0.301812D+01
      3  -0.221551D+01  0.155700D+00 -0.189245D+01  0.222809D+01  0.502215D+01
      4   0.282046D+02  0.186850D+02 -0.376469D+00 -0.845182D+01  0.223503D+01
      5  -0.912356D+01 -0.367747D+01  0.189914D+01  0.127201D+02  0.168790D+02
      6  -0.960313D+01 -0.733572D+01 -0.659538D+01  0.207848D+01  0.274328D+01
                36            37            38            39            40 
      1   0.420364D+01 -0.402920D+02  0.101344D+02 -0.126511D+02  0.521364D+02
      2  -0.115004D+02  0.437912D+02  0.245373D+01  0.122441D+02 -0.254216D+02
      3   0.729673D+01 -0.349916D+01 -0.125882D+02  0.406984D+00 -0.267148D+02
      4   0.145924D+02  0.143680D+02  0.155205D+02  0.138930D+02  0.268674D+02
      5   0.457230D+01 -0.631377D+01  0.222360D+02 -0.266335D+02  0.268220D+02
      6  -0.439803D+01  0.725945D+01  0.723673D+01 -0.716220D+01  0.543202D+01
                41            42            43            44            45 
      1   0.800057D+01  0.264076D+02 -0.104730D+02  0.295665D+02 -0.446769D+02
      2   0.671455D+00 -0.214987D+02  0.111409D+02 -0.245553D+02  0.319152D+02
      3  -0.867202D+01 -0.490892D+01 -0.667856D+00 -0.501122D+01  0.127617D+02
      4   0.336361D+00 -0.101662D+02  0.352353D+02  0.430527D+01 -0.200556D+02
      5  -0.131713D+02  0.161459D+02 -0.534201D+02 -0.157313D+02  0.208555D+02
      6  -0.472229D+01  0.368064D+01 -0.197182D+02 -0.633123D+01  0.150550D+02
                46            47            48            49            50 
      1   0.120309D+02 -0.191785D+02  0.234387D+02 -0.253947D+02 -0.362031D+02
      2  -0.153878D+02 -0.761621D+01 -0.343535D+01  0.129874D+01  0.159449D+02
      3   0.335690D+01  0.267947D+02 -0.200033D+02  0.240960D+02  0.202582D+02
      4  -0.323104D+02 -0.471046D+02  0.396007D+01 -0.561226D+02 -0.153947D+02
      5   0.135941D+02  0.331665D+01  0.202459D+02  0.962273D+01  0.253781D+02
      6   0.140235D+02  0.864053D+01  0.159208D+02  0.140459D+02  0.101639D+02
                51            52            53            54            55 
      1  -0.424289D+01  0.447954D+01 -0.219689D+02  0.425709D+02 -0.212861D+02
      2   0.304538D+01  0.589088D+01  0.138139D+02 -0.277505D+02 -0.639771D+01
      3   0.119751D+01 -0.103704D+02  0.815499D+01 -0.148204D+02  0.276838D+02
      4   0.189491D+02 -0.202208D+02 -0.527021D+01  0.978096D+01 -0.481489D+02
      5  -0.839365D+01  0.393507D+02  0.466932D+01 -0.260642D+02  0.105352D+02
      6  -0.851286D+01  0.218366D+02 -0.329752D+01 -0.573043D+01 -0.627107D+01
                56            57            58            59            60 
      1  -0.579276D+02  0.106904D+02 -0.779120D+02  0.108279D+02 -0.282957D+02
      2   0.356301D+02 -0.176701D+02  0.472812D+02 -0.149035D+02  0.150700D+02
      3   0.222974D+02  0.697968D+01  0.306307D+02  0.407561D+01  0.132257D+02
      4  -0.783929D+01 -0.140786D+02  0.555142D+01  0.134802D+02  0.278473D+02
      5  -0.228993D+02  0.382574D+02 -0.265479D+02  0.317667D+02  0.241741D+02
      6  -0.152072D+01  0.338391D+01  0.942278D+00  0.347217D+01  0.115530D+02
                61            62            63            64            65 
      1   0.280641D+02 -0.211984D+02  0.488348D+02  0.147822D+02 -0.207726D+01
      2  -0.258655D+02  0.139400D+02 -0.207227D+02 -0.147547D+02  0.374650D+01
      3  -0.219853D+01  0.725835D+01 -0.281121D+02 -0.275260D-01 -0.166924D+01
      4  -0.529861D+01  0.273322D+02  0.324180D+02  0.565984D+01 -0.465790D+02
      5   0.504670D+02  0.236984D+02 -0.261355D+00  0.708501D+01 -0.692570D+01
      6   0.791645D+01  0.908790D+01  0.397241D+01  0.830147D+01  0.588937D+01
                66            67            68            69            70 
      1   0.440400D+01  0.337027D+01 -0.154207D+02 -0.166920D+01  0.302256D+01
      2  -0.177175D+01 -0.274202D+01  0.178207D+02  0.889200D+00 -0.233261D+01
      3  -0.263225D+01 -0.628248D+00 -0.240000D+01  0.779999D+00 -0.689954D+00
      4  -0.717473D+01  0.123580D+02  0.241228D+02  0.225031D+01  0.134199D+01
      5   0.152385D+02  0.327795D+01  0.339118D+01  0.426897D+01  0.219379D+01
      6  -0.869183D+00  0.313935D+01  0.810988D+00  0.561994D+01  0.240454D+00
                71            72            73            74            75 
      1  -0.402285D+00 -0.362835D+01 -0.577043D+02  0.665058D+00  0.234184D-02
      2   0.466110D+00  0.758790D+00  0.299941D+02 -0.326121D+01  0.522593D-03
      3  -0.638255D-01  0.286956D+01  0.277102D+02  0.259615D+01 -0.286443D-02
      4  -0.101261D+01  0.390420D+01 -0.129099D+01 -0.255037D+02  0.834257D-02
      5   0.178206D+01  0.133340D+01  0.705423D-02  0.758250D-02 -0.226797D+02
      6   0.727598D+01  0.110009D+01  0.713489D-02  0.448423D-02 -0.368950D+01
                76            77            78            79            80 
      1  -0.171754D+01 -0.107843D+02 -0.446236D-02  0.132012D-01  0.625533D-02
      2   0.627779D+01  0.842830D+01  0.226882D-02 -0.188866D-01 -0.542980D-02
      3  -0.456025D+01  0.235596D+01  0.219354D-02  0.568540D-02 -0.825528D-03
      4  -0.171516D+02  0.163909D+02 -0.158014D-02  0.167505D-01  0.302706D-01
      5   0.362481D-02  0.998265D-03  0.249723D+01  0.650165D+01  0.180517D+01
      6  -0.330730D-02 -0.387461D-02  0.193233D+01  0.273834D+01  0.633572D+01
                81            82            83            84            85 
      1  -0.220918D+02 -0.387468D+02 -0.652662D+02 -0.126719D+02  0.496588D+01
      2  -0.814510D+00  0.329404D+02  0.569770D+02  0.764941D+01 -0.183176D+01
      3   0.229063D+02  0.580642D+01  0.828920D+01  0.502246D+01 -0.313412D+01
      4  -0.382300D+00 -0.436582D+02 -0.342506D+01 -0.276336D+01  0.197628D+02
      5   0.147866D-01 -0.570339D+01 -0.150080D+01  0.211988D+02  0.169907D+01
      6   0.325209D-02  0.108678D+02  0.237576D+01  0.109514D+02 -0.653014D+01
                86            87            88            89            90 
      1  -0.951389D+01 -0.821097D+00 -0.807597D+00  0.468032D+00 -0.850637D+01
      2   0.119888D+02  0.325614D+00 -0.119049D+01 -0.226073D+01  0.426570D+01
      3  -0.247487D+01  0.495484D+00  0.199809D+01  0.179269D+01  0.424067D+01
      4   0.181880D+01  0.700238D+00  0.281144D+01  0.295766D+01 -0.251000D+01
      5  -0.306733D+00 -0.198216D+01  0.119908D+01  0.189546D+01 -0.232237D+00
      6   0.242094D+01  0.388195D+01  0.402384D+01  0.888730D+01  0.192081D+01
                91            92            93            94            95 
      1  -0.168131D+01  0.204263D+02  0.495272D+01 -0.865863D+02 -0.979401D+02
      2  -0.895328D+01 -0.183545D+02 -0.236707D+01  0.757333D+02  0.718183D+02
      3   0.106346D+02 -0.207185D+01 -0.258565D+01  0.108530D+02  0.261217D+02
      4   0.288383D+02 -0.458956D+02 -0.394900D+01 -0.951997D+02 -0.154080D+03
      5   0.319538D+01 -0.369618D+01 -0.247812D+02 -0.101232D+02 -0.148131D+02
      6  -0.900121D+01  0.173557D+01 -0.748795D+01  0.859617D+01  0.502096D+01
                96            97            98            99           100 
      1  -0.104332D+02 -0.177402D+02 -0.141938D+02 -0.264438D+02 -0.226499D+02
      2   0.828969D+01  0.128391D+02  0.731786D+01  0.130127D+02  0.215590D+02
      3   0.214351D+01  0.490110D+01  0.687598D+01  0.134311D+02  0.109090D+01
      4  -0.183873D+02 -0.131893D+02 -0.201931D+02 -0.270317D+02 -0.291120D+02
      5  -0.210763D+02 -0.100855D+02 -0.260869D+02 -0.100435D+02 -0.101269D+01
      6  -0.201972D+00  0.483801D+01  0.126238D+02  0.250867D+01  0.317403D+00
               101           102           103           104           105 
      1  -0.209092D+02  0.187234D+00  0.297623D+02  0.469649D+02  0.912940D+01
      2   0.125156D+02 -0.261742D+01 -0.415769D+02 -0.381337D+02 -0.497532D+01
      3   0.839361D+01  0.243019D+01  0.118146D+02 -0.883119D+01 -0.415407D+01
      4  -0.236071D+02 -0.312011D+01  0.524865D+02  0.141310D+02  0.191094D+00
      5  -0.107737D+01 -0.130729D+02  0.939373D+01  0.556996D+00 -0.270906D+01
      6  -0.295534D+01  0.827271D+01 -0.990071D+01  0.688797D+00 -0.850628D+01
               106           107           108           109           110 
      1   0.986230D+01  0.238868D+01 -0.431806D+01  0.222467D+02  0.118105D+02
      2  -0.115269D+02  0.203538D+01  0.942253D-01 -0.120122D+02 -0.186330D+02
      3   0.166460D+01 -0.442406D+01  0.422384D+01 -0.102345D+02  0.682257D+01
      4   0.609366D+01 -0.926946D+01  0.112455D+02 -0.904268D+01  0.374238D+02
      5  -0.100274D+02  0.726921D+01 -0.151051D+01  0.125858D+02 -0.275700D+01
      6   0.728183D+01 -0.120734D+02  0.406999D+00 -0.109580D+02  0.253400D+01
               111           112           113           114           115 
      1   0.104331D+02 -0.483847D+01 -0.179470D+02  0.289054D+01  0.115245D+02
      2  -0.555467D+01  0.579679D+00  0.289338D+02 -0.733894D+01 -0.855070D+01
      3  -0.487843D+01  0.425879D+01 -0.109868D+02  0.444840D+01 -0.297383D+01
      4  -0.794506D+01  0.691340D+01 -0.349412D+02  0.949714D+01 -0.693841D+01
      5   0.112132D+02 -0.420856D+01  0.866890D+01 -0.521995D+01  0.141170D+02
      6  -0.795943D+01  0.427596D+01 -0.110860D+02  0.105779D+02 -0.113318D+02
               116           117           118           119           120 
      1   0.167560D+02  0.269318D-01  0.933941D+01 -0.302436D+02  0.640262D+01
      2  -0.209727D+02  0.519765D+00 -0.322945D+02  0.486728D+01 -0.198947D+02
      3   0.421673D+01 -0.546697D+00  0.229551D+02  0.253763D+02  0.134920D+02
      4   0.305535D+02 -0.161456D+02 -0.413208D+02 -0.430591D+02 -0.874786D+01
      5  -0.119266D+02  0.278210D+02 -0.499776D-01 -0.163528D+02  0.199714D+02
      6   0.172506D+02 -0.267998D+02 -0.230774D+00 -0.146927D+02  0.167618D+02
               121           122           123           124           125 
      1  -0.269641D+02 -0.186368D+02 -0.210062D+02  0.621486D+01 -0.203966D+02
      2   0.783677D+01  0.531871D+01  0.209516D+02 -0.173584D+02  0.258885D+02
      3   0.191274D+02  0.133181D+02  0.545974D-01  0.111436D+02 -0.549183D+01
      4  -0.367442D+02 -0.131551D+02  0.210678D+01 -0.853755D+01  0.270254D+01
      5  -0.157412D+02  0.780424D+01 -0.473493D+01  0.197541D+02 -0.335579D+01
      6  -0.113008D+02  0.133300D+02 -0.104953D+01  0.177214D+02 -0.446672D+01
               126           127           128           129           130 
      1   0.321727D+02  0.135204D+02  0.597444D+02 -0.736312D+01  0.856090D+02
      2  -0.104460D+02  0.484115D+01 -0.364300D+02  0.126784D+02 -0.538554D+02
      3  -0.217266D+02 -0.183616D+02 -0.233144D+02 -0.531524D+01 -0.317536D+02
      4   0.117826D+02  0.581142D+02 -0.656046D+00  0.215692D+02 -0.222233D+02
      5  -0.178027D+02 -0.683410D+01  0.266317D+02 -0.316911D+02  0.314860D+02
      6  -0.222793D+02  0.918516D+01  0.694936D+00 -0.284596D+01 -0.551900D+01
               131           132           133           134           135 
      1  -0.158639D+02  0.398598D+02 -0.117726D+02  0.300500D+02 -0.381599D+02
      2   0.960250D+01 -0.242155D+02  0.143402D+02 -0.183143D+02  0.871556D+01
      3   0.626138D+01 -0.156444D+02 -0.256759D+01 -0.117357D+02  0.294443D+02
      4  -0.222331D+02 -0.333563D+02  0.149090D+02 -0.320433D+02 -0.411183D+02
      5  -0.378072D+02 -0.275049D+02 -0.428970D+02 -0.327410D+02  0.115088D+02
      6  -0.127864D+02 -0.181198D+02 -0.843774D+01 -0.176463D+02 -0.280813D+01
               136           137           138           139           140 
      1   0.353914D+02  0.353301D+02 -0.592979D+01  0.436784D+02  0.316137D+00
      2  -0.919474D+01 -0.252574D+02  0.124826D+02 -0.296079D+02  0.131372D+02
      3  -0.261966D+02 -0.100726D+02 -0.655276D+01 -0.140704D+02 -0.134533D+02
      4   0.393586D+02 -0.375734D+01  0.177389D+02 -0.135830D+02 -0.752924D+01
      5   0.137046D+01  0.305811D+02 -0.279371D+02  0.318108D+02 -0.393380D+02
      6   0.158037D+02 -0.510990D+01  0.566446D+01 -0.108522D+02 -0.885917D+01
               141           142           143           144           145 
      1   0.306058D+02 -0.661181D+01  0.231940D+02 -0.260679D+02  0.148048D+02
      2  -0.109277D+02  0.142582D+02 -0.595783D+01  0.460385D+01 -0.147690D+02
      3  -0.196781D+02 -0.764639D+01 -0.172362D+02  0.214641D+02 -0.358758D-01
      4  -0.353139D+02  0.102122D+02 -0.257523D+02 -0.199472D+02  0.569826D+01
      5  -0.948210D+01 -0.286328D+02 -0.132910D+02  0.276323D+00 -0.709522D+01
      6  -0.280821D+02  0.157223D+01 -0.202938D+02 -0.102044D+02 -0.830632D+01
               146           147           148           149           150 
      1  -0.206219D+01 -0.443664D+01  0.335938D+01 -0.154121D+02  0.168433D+01
      2   0.375411D+01  0.176178D+01 -0.273651D+01  0.178041D+02 -0.897961D+00
      3  -0.169192D+01  0.267486D+01 -0.622874D+00 -0.239199D+01 -0.786371D+00
      4  -0.465713D+02  0.718408D+01  0.123592D+02  0.240995D+02 -0.226410D+01
      5   0.692648D+01  0.152443D+02 -0.328353D+01 -0.340305D+01  0.426968D+01
      6  -0.585785D+01 -0.867490D+00 -0.313983D+01 -0.842869D+00  0.561974D+01
               151           152           153           154           155 
      1  -0.302016D+01  0.415052D+00 -0.363612D+01 -0.730993D+01  0.228918D+02
      2   0.232329D+01 -0.463192D+00  0.757394D+00  0.554361D+00 -0.196232D+02
      3   0.696869D+00  0.481393D-01  0.287873D+01  0.675557D+01 -0.326861D+01
      4  -0.134452D+01  0.961827D+00  0.390308D+01  0.453429D+01  0.454330D+02
      5   0.218737D+01  0.177767D+01 -0.133699D+01  0.680014D+01  0.257681D+01
      6   0.247593D+00  0.726473D+01 -0.111702D+01  0.107923D+02  0.826807D+01
               156           157           158           159           160 
      1   0.485792D+00  0.500400D+02  0.468137D+02 -0.915391D+00 -0.789857D+01
      2   0.176545D+01 -0.478560D+02 -0.469686D+02 -0.969701D+00  0.101180D+02
      3  -0.225125D+01 -0.218402D+01  0.154882D+00  0.188509D+01 -0.221948D+01
      4  -0.757012D+00  0.282407D+02  0.187842D+02  0.409522D+00  0.847575D+01
      5  -0.128053D+02  0.914018D+01  0.368536D+01  0.190965D+01  0.127074D+02
      6   0.137839D+00  0.963399D+01  0.735558D+01 -0.659001D+01  0.208564D+01
               161           162           163           164           165 
      1   0.200389D+01  0.419216D+01 -0.403470D+02  0.101742D+02  0.127123D+02
      2   0.303787D+01 -0.114922D+02  0.438140D+02  0.243989D+01 -0.122700D+02
      3  -0.504176D+01  0.730004D+01 -0.346698D+01 -0.126141D+02 -0.442313D+00
      4  -0.225866D+01  0.146113D+02  0.143792D+02  0.155157D+02 -0.138598D+02
      5   0.169077D+02 -0.459710D+01  0.641035D+01 -0.222086D+02 -0.265680D+02
      6   0.275127D+01  0.439673D+01 -0.723861D+01 -0.722759D+01 -0.713451D+01
               166           167           168           169           170 
      1   0.521314D+02  0.797753D+01 -0.263981D+02  0.105438D+02 -0.295351D+02
      2  -0.253953D+02  0.698071D+00  0.214775D+02 -0.111616D+02  0.245319D+02
      3  -0.267361D+02 -0.867560D+01  0.492063D+01  0.617815D+00  0.500324D+01
      4   0.268552D+02  0.334145D+00  0.101328D+02 -0.352400D+02 -0.434942D+01
      5  -0.268071D+02  0.131398D+02  0.160428D+02 -0.533008D+02 -0.158037D+02
      6  -0.544041D+01  0.472442D+01  0.364774D+01 -0.197019D+02 -0.637722D+01
               171           172           173           174           175 
      1  -0.445597D+02 -0.211043D+02 -0.579997D+02 -0.108440D+02 -0.779790D+02
      2   0.318112D+02 -0.653458D+01  0.356538D+02  0.177111D+02  0.472827D+02
      3   0.127485D+02  0.276389D+02  0.223459D+02 -0.686716D+01  0.306963D+02
      4  -0.201182D+02 -0.481798D+02 -0.785832D+01  0.139974D+02  0.554027D+01
      5  -0.209857D+02 -0.106977D+02  0.228258D+02  0.382040D+02  0.264199D+02
      6  -0.151118D+02  0.625429D+01  0.150090D+01  0.338571D+01 -0.964974D+00
               176           177           178           179           180 
      1   0.108347D+02  0.281598D+02 -0.282232D+02  0.210997D+02  0.487213D+02
      2  -0.148790D+02 -0.149715D+02  0.258916D+02 -0.138678D+02 -0.205949D+02
      3   0.404432D+01 -0.131883D+02  0.233158D+01 -0.723195D+01 -0.281264D+02
      4   0.134669D+02 -0.278160D+02  0.518265D+01 -0.273315D+02  0.325040D+02
      5  -0.317273D+02  0.243241D+02  0.503713D+02  0.238068D+02  0.448334D+00
      6  -0.346592D+01  0.115573D+02  0.791889D+01  0.909149D+01 -0.395852D+01
               181           182           183           184           185 
      1  -0.677855D+01  0.701335D+01  0.616353D+01  0.163329D+02 -0.395397D+02
      2   0.665133D+01 -0.445487D+00 -0.301858D+01 -0.362722D+01  0.221844D+02
      3   0.127216D+00 -0.656786D+01 -0.314496D+01 -0.127057D+02  0.173554D+02
      4   0.878157D+01 -0.286033D+02 -0.739323D+01 -0.468654D+02  0.360805D+01
      5   0.189877D+01 -0.119272D+02 -0.185375D+02 -0.132161D+02  0.188129D+02
      6  -0.230279D+01 -0.236470D+01 -0.206096D+01  0.104324D+01  0.880071D+00
               186           187           188           189           190 
      1  -0.920157D+01 -0.337628D+01 -0.107714D+02 -0.296928D+02  0.711963D+02
      2   0.731853D+01  0.697622D+01  0.932602D+01  0.208536D+02 -0.478836D+02
      3   0.188304D+01 -0.359995D+01  0.144536D+01  0.883918D+01 -0.233127D+02
      4   0.212470D+02 -0.778362D+01  0.917899D+01 -0.300355D+02  0.406846D+02
      5  -0.395822D+02 -0.454942D+02 -0.337384D+02 -0.502643D+01  0.377442D+01
      6  -0.684029D+01 -0.600607D+01 -0.604999D+01 -0.729370D+00  0.123538D+01
               191           192           193           194           195 
      1   0.531931D+02 -0.337996D+01  0.142477D+02  0.316908D+02  0.147830D+01
      2  -0.422470D+02  0.261344D+01 -0.491594D+01 -0.119792D+02 -0.150116D+01
      3  -0.109461D+02  0.766517D+00 -0.933181D+01 -0.197116D+02  0.228564D-01
      4   0.770603D+02 -0.708514D+01  0.291567D+02  0.960097D+02 -0.147518D+02
      5  -0.289693D+01  0.144935D+02  0.331600D+01 -0.123894D+02  0.156761D+02
      6   0.582654D+01 -0.553748D+00 -0.120587D+01  0.408221D+01  0.738181D+01
               196           197           198           199           200 
      1   0.431584D+01 -0.999011D+00  0.154877D+02 -0.973203D+02 -0.137644D+02
      2  -0.275002D+01  0.946605D+00 -0.171437D+02  0.577551D+02  0.165660D+02
      3  -0.156582D+01  0.524062D-01  0.165601D+01  0.395652D+02 -0.280156D+01
      4  -0.541873D+00 -0.127194D+02  0.112866D+02 -0.938820D+01  0.118822D+02
      5   0.305053D+02  0.164712D+02 -0.594760D+01 -0.371249D+02 -0.743032D+01
      6  -0.501567D+00  0.761486D+01 -0.107016D+01 -0.100508D+00  0.491609D+01
               201           202           203           204           205 
      1  -0.266186D+02 -0.111201D+02  0.297521D+02 -0.978520D+01  0.500991D+00
      2   0.795897D+01  0.692966D+01 -0.186446D+02 -0.477685D+01 -0.812815D+01
      3   0.186596D+02  0.419039D+01 -0.111076D+02  0.145620D+02  0.762716D+01
      4  -0.629145D+01  0.224394D+02 -0.869132D+01 -0.274930D+01  0.464845D+01
      5   0.123424D+02  0.176123D+00  0.279855D+01  0.322526D+02  0.245507D+02
      6  -0.256073D+01  0.499105D+01 -0.233752D+01  0.250432D-02  0.289535D+01
               206           207           208           209           210 
      1  -0.516576D+01  0.247970D+02  0.121036D+02 -0.191278D+02 -0.234698D+02
      2  -0.752302D+01 -0.844894D+01 -0.153972D+02 -0.765669D+01  0.347834D+01
      3   0.126888D+02 -0.163481D+02  0.329356D+01  0.267845D+02  0.199915D+02
      4   0.352013D+01  0.318363D+02 -0.322805D+02 -0.471230D+02 -0.399764D+01
      5   0.330861D+02  0.423686D+01 -0.136424D+02 -0.332785D+01  0.201444D+02
      6   0.220261D+01  0.113357D+02 -0.140684D+02 -0.866544D+01  0.158903D+02
               211           212           213           214           215 
      1  -0.253044D+02 -0.361470D+02  0.425293D+01 -0.459461D+01  0.219385D+02
      2   0.123034D+01  0.158858D+02 -0.308016D+01 -0.582063D+01 -0.138419D+02
      3   0.240741D+02  0.202612D+02 -0.117278D+01  0.104152D+02 -0.809659D+01
      4  -0.561254D+02 -0.154889D+02 -0.189853D+02  0.201684D+02  0.522321D+01
      5  -0.960674D+01 -0.254079D+02 -0.835225D+01  0.392321D+02  0.471878D+01
      6  -0.140613D+02 -0.102182D+02 -0.851102D+01  0.218116D+02 -0.327787D+01
               216           217           218           219           220 
      1   0.424131D+02  0.354256D+02  0.354493D+02  0.603554D+01  0.437900D+02
      2  -0.276971D+02 -0.918032D+01 -0.252754D+02 -0.124787D+02 -0.295978D+02
      3  -0.147160D+02 -0.262453D+02 -0.101739D+02  0.644317D+01 -0.141922D+02
      4   0.981842D+01  0.394020D+02 -0.388343D+01 -0.176344D+02 -0.137299D+02
      5   0.261715D+02 -0.130289D+01 -0.305053D+02 -0.279197D+02 -0.316985D+02
      6   0.581195D+01 -0.157912D+02  0.520367D+01  0.559380D+01  0.109500D+02
               221           222           223           224           225 
      1   0.125357D+00 -0.305161D+02  0.676359D+01 -0.231239D+02 -0.260107D+02
      2   0.132423D+02  0.107985D+02 -0.142815D+02  0.586314D+01  0.453558D+01
      3  -0.133677D+02  0.197175D+02  0.751794D+01  0.172607D+02  0.214751D+02
      4  -0.744372D+01  0.353490D+02 -0.100873D+02  0.257805D+02 -0.200908D+02
      5   0.394171D+02 -0.969275D+01 -0.286082D+02 -0.134784D+02 -0.390893D+00
      6   0.879536D+01 -0.280820D+02  0.151439D+01 -0.203032D+02  0.102748D+02
               226           227           228           229           230 
      1   0.133287D+02  0.598823D+02  0.754202D+01  0.857917D+02 -0.158727D+02
      2   0.499168D+01 -0.364823D+02 -0.127329D+02 -0.539214D+02  0.957982D+01
      3  -0.183204D+02 -0.234001D+02  0.519093D+01 -0.318703D+02  0.629284D+01
      4   0.582188D+02 -0.622512D+00 -0.214622D+02 -0.221769D+02 -0.222308D+02
      5   0.700755D+01 -0.265457D+02 -0.316318D+02 -0.313515D+02  0.377177D+02
      6  -0.914789D+01 -0.685081D+00 -0.286299D+01  0.551341D+01  0.127763D+02
               231           232           233           234           235 
      1  -0.397306D+02  0.119463D+02 -0.299319D+02 -0.380172D+02  0.946298D+01
      2   0.241214D+02 -0.143791D+02  0.182414D+02  0.859113D+01 -0.323887D+02
      3   0.156092D+02  0.243276D+01  0.116906D+02  0.294261D+02  0.229257D+02
      4   0.332706D+02 -0.147735D+02  0.319960D+02 -0.412441D+02 -0.412153D+02
      5  -0.276709D+02 -0.427948D+02 -0.328887D+02 -0.116598D+02 -0.300593D-01
      6  -0.181158D+02 -0.846272D+01 -0.176623D+02  0.278963D+01  0.181643D+00
               236           237           238           239           240 
      1  -0.302004D+02 -0.646568D+01 -0.269455D+02 -0.186390D+02  0.209836D+02
      2   0.483921D+01  0.199136D+02  0.780898D+01  0.526293D+01 -0.209075D+02
      3   0.253612D+02 -0.134479D+02  0.191365D+02  0.133761D+02 -0.760979D-01
      4  -0.430665D+02  0.867139D+01 -0.367810D+02 -0.132245D+02 -0.209733D+01
      5   0.163321D+02  0.199326D+02  0.157388D+02 -0.777611D+01 -0.466321D+01
      6   0.146762D+02  0.167066D+02  0.112884D+02 -0.133047D+02 -0.980556D+00
               241           242           243           244           245 
      1  -0.628541D+01  0.203442D+02  0.321033D+02 -0.168065D+01  0.204865D+02
      2   0.173700D+02 -0.258520D+02 -0.102938D+02 -0.896040D+01 -0.183870D+02
      3  -0.110846D+02  0.550777D+01 -0.218096D+02  0.106410D+02 -0.209948D+01
      4   0.844157D+01 -0.270793D+01  0.118049D+02  0.289174D+02 -0.457960D+02
      5   0.197203D+02 -0.329940D+01  0.179096D+02 -0.319900D+01  0.370286D+01
      6   0.176652D+02 -0.438440D+01  0.223670D+02  0.901491D+01 -0.172860D+01
               246           247           248           249           250 
      1  -0.493079D+01 -0.864652D+02 -0.979045D+02  0.104233D+02  0.177094D+02
      2   0.235849D+01  0.756630D+02  0.718452D+02 -0.829086D+01 -0.128291D+02
      3   0.257230D+01  0.108023D+02  0.260593D+02 -0.213239D+01 -0.488030D+01
      4   0.396578D+01 -0.951139D+02 -0.154170D+03  0.183981D+02  0.131728D+02
      5  -0.247660D+02  0.101126D+02  0.148135D+02 -0.210833D+02 -0.100693D+02
      6  -0.749331D+01 -0.856180D+01 -0.497775D+01 -0.212036D+00  0.483286D+01
               251           252           253           254           255 
      1   0.141702D+02 -0.264244D+02 -0.226108D+02 -0.209241D+02 -0.183278D+00
      2  -0.731594D+01  0.130086D+02  0.215450D+02  0.125384D+02  0.261815D+01
      3  -0.685430D+01  0.134158D+02  0.106577D+01  0.838579D+01 -0.243487D+01
      4   0.201586D+02 -0.270327D+02 -0.291291D+02 -0.236327D+02  0.310988D+01
      5  -0.260895D+02  0.100294D+02  0.102379D+01  0.107297D+01 -0.130783D+02
      6   0.126236D+02 -0.249444D+01 -0.323701D+00  0.296686D+01  0.827557D+01
               256           257           258           259           260 
      1   0.296948D+02  0.469617D+02 -0.913178D+01 -0.986501D+01 -0.241173D+01
      2  -0.415326D+02 -0.381450D+02  0.497150D+01  0.115424D+02 -0.202434D+01
      3   0.118378D+02 -0.881674D+01  0.416028D+01 -0.167742D+01  0.443607D+01
      4   0.524758D+02  0.141632D+02 -0.181965D+00 -0.611802D+01  0.926447D+01
      5  -0.938663D+01 -0.551560D+00 -0.271750D+01 -0.100343D+02  0.726917D+01
      6   0.990140D+01 -0.691975D+00 -0.850246D+01  0.728602D+01 -0.120712D+02
               261           262           263           264           265 
      1  -0.432435D+01  0.222593D+02  0.118135D+02 -0.104350D+02 -0.481563D+01
      2   0.104027D+00 -0.120170D+02 -0.186596D+02  0.555170D+01  0.561225D+00
      3   0.422032D+01 -0.102423D+02  0.684612D+01  0.488325D+01  0.425441D+01
      4   0.112460D+02 -0.907998D+01  0.374871D+02  0.795099D+01  0.693786D+01
      5   0.149234D+01 -0.125915D+02  0.276220D+01  0.112203D+02  0.420272D+01
      6  -0.395973D+00  0.109607D+02 -0.254792D+01 -0.796770D+01 -0.427621D+01
               266           267           268           269           270 
      1  -0.178967D+02 -0.288461D+01 -0.115152D+02 -0.167233D+02  0.391856D-01
      2   0.288899D+02  0.733657D+01  0.854044D+01  0.209520D+02  0.513012D+00
      3  -0.109932D+02 -0.445196D+01  0.297477D+01 -0.422871D+01 -0.552198D+00
      4  -0.348887D+02 -0.948522D+01  0.696247D+01 -0.305362D+02 -0.161524D+02
      5  -0.866294D+01 -0.521655D+01  0.141249D+02 -0.119327D+02 -0.278177D+02
      6   0.110822D+02  0.105757D+02 -0.113408D+02  0.172503D+02  0.267891D+02
               271           272           273           274           275 
      1  -0.387199D+02 -0.652917D+02  0.126518D+02  0.494845D+01 -0.955749D+01
      2   0.329284D+02  0.570061D+02 -0.764494D+01 -0.182713D+01  0.120331D+02
      3   0.579146D+01  0.828560D+01 -0.500682D+01 -0.312132D+01 -0.247557D+01
      4  -0.436955D+02 -0.349924D+01  0.275118D+01  0.197629D+02  0.179956D+01
      5   0.570294D+01  0.149901D+01  0.212005D+02 -0.169394D+01  0.309841D+00
      6  -0.108752D+02 -0.238472D+01  0.109609D+02  0.652811D+01 -0.241074D+01
               276           277           278           279           280 
      1   0.825560D+00  0.810932D+00 -0.484586D+00 -0.850712D+01  0.324869D+02
      2  -0.327615D+00  0.118945D+01  0.226833D+01  0.427065D+01 -0.236185D+02
      3  -0.497945D+00 -0.200038D+01 -0.178374D+01  0.423647D+01 -0.886839D+01
      4  -0.699091D+00 -0.283203D+01 -0.295231D+01 -0.251667D+01 -0.118166D+02
      5  -0.198032D+01  0.120401D+01  0.189169D+01  0.236538D+00  0.186862D+02
      6   0.388655D+01  0.402833D+01  0.889497D+01 -0.191594D+01 -0.978848D+01
               281           282           283           284           285 
      1   0.149491D+02  0.773318D+01  0.233915D+01 -0.417215D+01  0.526688D+01
      2  -0.193179D+02 -0.526463D+01 -0.509401D+01  0.847989D+01 -0.720605D+01
      3   0.436886D+01 -0.246855D+01  0.275486D+01 -0.430774D+01  0.193917D+01
      4   0.364591D+02 -0.155140D+02  0.949109D+01 -0.174645D+02  0.102459D+02
      5  -0.918295D+01  0.184532D+02 -0.142413D+01  0.105874D+02 -0.183329D+01
      6   0.747923D+01 -0.101875D+02  0.307452D+01 -0.914755D+01  0.757156D+01
               286           287           288           289           290 
      1   0.125420D+02  0.103884D+02  0.119045D+01 -0.213973D+02 -0.217487D+02
      2  -0.138209D+02 -0.988240D+01 -0.939821D+01  0.222236D+02  0.228569D+02
      3   0.127886D+01 -0.506046D+00  0.820776D+01 -0.826252D+00 -0.110819D+01
      4  -0.797714D+01  0.191336D+02 -0.159975D+02  0.745010D+01  0.832997D+01
      5   0.194624D+02 -0.105017D+02  0.308779D+02 -0.741438D+00 -0.106141D+01
      6  -0.108281D+02  0.133106D+02 -0.238530D+02 -0.538800D+01 -0.442649D+01
               291           292           293           294           295 
      1   0.537835D+01 -0.160965D+02 -0.481473D+02  0.798371D+01  0.392989D+01
      2  -0.333216D+01  0.212484D+02  0.628460D+02 -0.743054D+01 -0.261220D+01
      3  -0.204618D+01 -0.515195D+01 -0.146986D+02 -0.553173D+00 -0.131769D+01
      4  -0.207701D+01  0.248075D+00 -0.171515D+02  0.299474D+01 -0.101432D+01
      5  -0.400087D-01 -0.257708D+00  0.267698D+01 -0.246382D+01 -0.125362D+01
      6   0.709965D+01 -0.366464D+01 -0.113144D+02  0.134250D+02  0.677279D+01
               296           297           298           299           300 
      1   0.795942D+01 -0.149564D+02 -0.213976D+02 -0.217483D+02 -0.538405D+01
      2  -0.577232D+01  0.118244D+02  0.222219D+02  0.228528D+02  0.334187D+01
      3  -0.218709D+01  0.313200D+01 -0.824307D+00 -0.110451D+01  0.204218D+01
      4   0.945821D+00 -0.218532D+01  0.745963D+01  0.833518D+01  0.207980D+01
      5  -0.617679D+01  0.320980D+01  0.739683D+00  0.106333D+01 -0.519814D-01
      6   0.165999D+02 -0.954854D+01  0.539044D+01  0.443506D+01  0.709733D+01
               301           302           303           304           305 
      1  -0.160838D+02 -0.481135D+02 -0.798887D+01 -0.392981D+01 -0.795970D+01
      2   0.212311D+02  0.627988D+02  0.743499D+01  0.260872D+01  0.577193D+01
      3  -0.514729D+01 -0.146853D+02  0.553875D+00  0.132109D+01  0.218777D+01
      4   0.273011D+00 -0.170974D+02 -0.299113D+01  0.101754D+01 -0.939263D+00
      5   0.245947D+00 -0.267319D+01 -0.246475D+01 -0.125458D+01 -0.616657D+01
      6   0.366023D+01  0.113058D+02  0.134198D+02  0.677738D+01  0.165959D+02
               306           307           308           309           310 
      1  -0.149530D+02  0.325039D+02  0.149447D+02 -0.772310D+01  0.231863D+01
      2   0.118197D+02 -0.236211D+02 -0.193117D+02  0.525528D+01 -0.507450D+01
      3   0.313326D+01 -0.888272D+01  0.436705D+01  0.246782D+01  0.275587D+01
      4  -0.217416D+01 -0.118383D+02  0.364595D+02  0.155202D+02  0.949655D+01
      5  -0.321150D+01 -0.186827D+02  0.919045D+01  0.184486D+02  0.143161D+01
      6   0.955133D+01  0.978907D+01 -0.748619D+01 -0.101890D+02 -0.307784D+01
               311           312           313           314           315 
      1  -0.418797D+01 -0.525194D+01 -0.125387D+02 -0.103754D+02  0.118762D+01
      2   0.850410D+01  0.719995D+01  0.138149D+02  0.986721D+01 -0.938364D+01
      3  -0.431613D+01 -0.194801D+01 -0.127622D+01  0.508169D+00  0.819602D+01
      4  -0.174816D+02 -0.102439D+02  0.798857D+01 -0.191092D+02 -0.159983D+02
      5  -0.105875D+02 -0.183695D+01  0.194532D+02 -0.105057D+02 -0.308508D+02
      6   0.914819D+01  0.757520D+01 -0.108264D+02  0.133116D+02  0.238435D+02
               316           317           318           319           320 
      1   0.398667D+02  0.247988D+02  0.921292D+01  0.241967D+02  0.174939D+02
      2  -0.125847D+02 -0.393891D+00 -0.391782D+01  0.592349D+00  0.135437D+02
      3  -0.272820D+02 -0.244049D+02 -0.529509D+01 -0.247891D+02 -0.310376D+02
      4   0.481272D+02  0.515492D+02  0.133314D+02  0.538167D+02  0.713511D+02
      5   0.210563D+02  0.156334D+02  0.150972D+02  0.190217D+02  0.251121D+02
      6   0.136364D+02  0.135024D+02  0.729863D+01  0.159475D+02  0.232162D+02
               321           322           323           324           325 
      1   0.283790D+01  0.661409D+00 -0.210500D+01  0.349419D+00 -0.266174D+02
      2   0.123690D+01 -0.737594D+00 -0.855829D-01  0.170377D+01  0.117113D+02
      3  -0.407480D+01  0.761854D-01  0.219059D+01 -0.205319D+01  0.149061D+02
      4   0.212096D+02  0.218511D+01  0.985278D+01  0.131163D+02  0.171805D+01
      5   0.175649D+02  0.925640D+01  0.128180D+02  0.754499D+01  0.584050D+01
      6   0.138206D+02  0.422812D+01  0.962443D+01  0.651880D+01  0.108547D+02
               326           327           328           329           330 
      1   0.183559D+02  0.300254D+02  0.758154D+01 -0.106726D+02 -0.115811D+02
      2  -0.918565D+01 -0.735340D+01 -0.373452D+01  0.689156D+01  0.769338D+01
      3  -0.917022D+01 -0.226720D+02 -0.384701D+01  0.378101D+01  0.388769D+01
      4  -0.821617D-01 -0.149056D+01  0.328151D+01  0.944986D+01  0.915315D+01
      5  -0.502168D+01 -0.174747D+02 -0.832709D+00  0.972238D+01  0.689386D+01
      6  -0.875750D+01 -0.172346D+02 -0.256409D+01  0.108899D+02  0.116510D+02
               331           332           333           334           335 
      1   0.174131D+02 -0.162486D+02 -0.372742D+02  0.156293D+03  0.149558D+01
      2  -0.386525D+01  0.681456D+01  0.440832D+01 -0.920812D+02 -0.649419D+00
      3  -0.135479D+02  0.943407D+01  0.328659D+02 -0.642119D+02 -0.846158D+00
      4   0.709416D+00  0.774087D+01  0.565071D+01  0.657944D+01  0.130798D+02
      5  -0.617569D+01  0.107507D+02  0.294363D+02  0.646566D+02  0.891365D+00
      6  -0.877690D+01  0.143037D+02  0.241003D+02  0.201535D+01  0.321458D+01
               336           337           338           339           340 
      1   0.379353D+02  0.510587D+00  0.111672D+02 -0.187500D+00  0.212238D+02
      2  -0.269172D+02  0.296201D+00 -0.521272D+01  0.911281D+00 -0.170132D+02
      3  -0.110180D+02 -0.806789D+00 -0.595447D+01 -0.723781D+00 -0.421058D+01
      4   0.885756D+00  0.167304D+02  0.494135D-01  0.589939D+01  0.862488D+00
      5   0.343471D+02 -0.139541D+00  0.701220D+01 -0.162497D+01  0.277624D+02
      6   0.212364D+01  0.393712D+01  0.125081D+01  0.314270D+01  0.230262D+01
               341           342           343           344           345 
      1  -0.312037D+00  0.196559D+02  0.429746D+01 -0.612767D+01  0.174633D+02
      2   0.219171D+01 -0.158309D+02 -0.626116D+01  0.676857D+00 -0.193953D+01
      3  -0.187967D+01 -0.382495D+01  0.196370D+01  0.545082D+01 -0.155238D+02
      4   0.100126D+00 -0.119420D+01 -0.385477D+01 -0.606072D+01  0.529728D+01
      5  -0.135630D+01  0.172643D+02  0.939600D+01  0.313141D+01 -0.106463D+02
      6   0.168010D+01  0.107697D+00 -0.132763D+01 -0.275179D+01  0.109392D+01
               346           347           348           349           350 
      1  -0.699304D+01 -0.108056D+02  0.735093D+01  0.104064D+02  0.677646D+01
      2   0.508283D+01  0.141142D+01  0.715812D+01 -0.606734D+01  0.588520D+01
      3   0.191021D+01  0.939420D+01 -0.145091D+02 -0.433908D+01 -0.126617D+02
      4  -0.416604D+00 -0.174048D+02  0.182517D+02 -0.247526D+01  0.153525D+02
      5  -0.511657D+01  0.156355D+02 -0.278470D+02  0.655563D+01 -0.213564D+02
      6  -0.317616D+00 -0.732806D+01  0.856167D+01 -0.894978D+00  0.723520D+01
               351           352           353           354           355 
      1  -0.222109D+02  0.414208D+02 -0.297071D+02 -0.437004D+01 -0.328003D+02
      2  -0.166206D+02 -0.182316D+02  0.143062D+02  0.202312D+01  0.129761D+02
      3   0.388315D+02 -0.231891D+02  0.154009D+02  0.234692D+01  0.198242D+02
      4  -0.237424D+02 -0.361722D+02  0.246368D+02  0.422923D+01  0.350118D+02
      5   0.555252D+02 -0.518518D+01  0.392897D+01  0.112124D+02  0.449436D+01
      6  -0.790713D+01  0.136507D+01 -0.114051D+01 -0.989240D+00 -0.180400D+01
               356           357           358           359           360 
      1   0.165727D+02  0.347555D+01 -0.811595D+01  0.684905D+01  0.102620D+02
      2   0.254011D+01 -0.120382D+01  0.370514D+01 -0.322687D+01 -0.657315D+01
      3  -0.191128D+02 -0.227173D+01  0.441081D+01 -0.362219D+01 -0.368890D+01
      4  -0.593025D+02 -0.617062D+01  0.864156D+01 -0.740185D+01 -0.940556D+01
      5  -0.537328D+01 -0.636046D+01  0.164250D+02 -0.858012D+01 -0.578493D+01
      6   0.978016D+00  0.362117D+01 -0.181517D+01  0.481590D+01  0.104131D+01
               361           362           363           364           365 
      1  -0.506672D+02 -0.191040D+02 -0.133310D+02 -0.189996D+02 -0.126853D+02
      2   0.229445D+02  0.107894D+02 -0.428265D+01  0.960024D+01  0.471665D+01
      3   0.277226D+02  0.831456D+01  0.176137D+02  0.939940D+01  0.796866D+01
      4  -0.209467D+02 -0.945976D+01  0.472082D+00 -0.727553D+01 -0.651958D+01
      5   0.214772D+02  0.109043D+02 -0.996959D+01  0.939084D+01 -0.119585D+01
      6   0.718936D+01  0.536278D+01  0.424345D+00  0.410939D+01  0.370763D+01
               366           367           368           369           370 
      1  -0.212534D+01 -0.463210D+01 -0.316933D+00 -0.118937D+02 -0.190364D+01
      2  -0.327403D+01 -0.367826D+01 -0.255657D+01  0.466542D+01 -0.206694D+01
      3   0.539937D+01  0.831036D+01  0.287350D+01  0.722832D+01  0.397058D+01
      4  -0.609703D+01  0.155840D+01 -0.313484D+01 -0.421367D+01  0.366546D+01
      5  -0.465680D+01 -0.549047D+01 -0.375181D+01  0.536462D+01 -0.931366D+01
      6   0.555187D+01  0.438809D+00  0.324755D+01  0.117977D+01 -0.408969D+01
               371           372           373           374           375 
      1   0.496437D+01 -0.961834D+01  0.495283D+01 -0.127127D+02  0.180122D+02
      2  -0.171837D+01  0.651037D+01 -0.414884D+01  0.353892D+01  0.588902D+01
      3  -0.324599D+01  0.310797D+01 -0.803993D+00  0.917380D+01 -0.239012D+02
      4   0.442169D+01 -0.119664D+01  0.993493D+01  0.304442D+02 -0.246578D+02
      5  -0.159823D+01  0.114900D+02 -0.907793D+01 -0.262576D+02  0.370080D+02
      6  -0.139854D+01  0.273491D-01 -0.613389D+01 -0.265865D+02  0.269314D+02
               376           377           378           379           380 
      1  -0.553294D+01  0.125447D+02 -0.176346D+02  0.327573D+02 -0.171625D+02
      2   0.723898D+01  0.321702D+01 -0.139758D+02 -0.268889D+02  0.138287D+02
      3  -0.170604D+01 -0.157617D+02  0.316104D+02 -0.586845D+01  0.333383D+01
      4  -0.435360D+01 -0.179640D+02  0.220595D+02 -0.208501D+02  0.174548D+02
      5   0.147482D+02  0.224622D+02 -0.447603D+02 -0.374729D+02  0.203235D+02
      6   0.352896D+01  0.200172D+02 -0.255646D+02  0.984931D+01 -0.847709D+01
               381           382           383           384           385 
      1  -0.169096D+02 -0.234900D+02  0.105013D+02  0.997306D+01 -0.923775D+01
      2   0.222490D+02  0.192995D+02 -0.130324D+02 -0.180779D+02  0.153544D+02
      3  -0.533946D+01  0.419057D+01  0.253114D+01  0.810483D+01 -0.611662D+01
      4   0.141007D+02  0.218754D+02 -0.281922D+02 -0.247662D+02  0.948219D+01
      5   0.388606D+02  0.294202D+02 -0.291891D+02 -0.324545D+02  0.282612D+02
      6  -0.643018D+01 -0.114462D+02  0.145269D+02  0.155289D+02 -0.525971D+01
               386           387           388           389           390 
      1   0.433307D+01  0.932383D+01  0.432406D+02  0.100272D+02  0.236733D+02
      2  -0.906417D+01 -0.214670D+02 -0.179665D+02 -0.112490D+01 -0.829093D+01
      3   0.473110D+01  0.121431D+02 -0.252741D+02 -0.890231D+01 -0.153823D+02
      4  -0.138320D+02 -0.135704D+02  0.163971D+02  0.141873D+02  0.141371D+02
      5  -0.160519D+02 -0.373763D+02  0.201503D+02  0.102667D+02  0.198726D+02
      6   0.971384D+01  0.798749D+01  0.577280D+01  0.220974D+01  0.415958D+01
               391           392           393           394           395 
      1   0.102095D+02  0.138598D+02  0.112642D+02  0.473934D+02  0.170656D+02
      2   0.579750D+00 -0.116750D+01 -0.187124D+01 -0.183485D+02 -0.334580D+01
      3  -0.107892D+02 -0.126923D+02 -0.939291D+01 -0.290449D+02 -0.137198D+02
      4   0.211930D+02  0.204407D+02  0.103152D+02  0.243866D+02  0.167414D+02
      5   0.108781D+02  0.721267D+01  0.150396D+02  0.220289D+02  0.146780D+02
      6   0.131843D+01  0.156238D+01  0.626834D+01  0.497368D+01  0.536352D+01
               396           397           398           399           400 
      1   0.231970D+02  0.108338D+03 -0.318879D+02 -0.303009D+02 -0.812694D+02
      2  -0.611191D+01 -0.653740D+02  0.199628D+02  0.212362D+02  0.496510D+02
      3  -0.170851D+02 -0.429635D+02  0.119251D+02  0.906471D+01  0.316184D+02
      4   0.193196D+02 -0.226088D+02  0.163859D+02  0.699095D+01  0.273627D+02
      5   0.474007D+02 -0.408264D+02  0.119291D+02  0.256498D+02  0.317814D+02
      6   0.112217D+02  0.292958D+01 -0.223422D+01  0.664241D+00 -0.442833D+01
               401           402           403           404           405 
      1   0.296255D+02  0.238773D+02 -0.374855D+02  0.101486D+02  0.274275D+02
      2  -0.196693D+02 -0.183858D+02  0.270883D+02 -0.896778D+01 -0.201061D+02
      3  -0.995625D+01 -0.549156D+01  0.103972D+02 -0.118080D+01 -0.732141D+01
      4  -0.254661D+02 -0.142846D+02  0.635333D+01 -0.119087D+02 -0.300706D+01
      5  -0.176036D+02 -0.191745D+02  0.369856D+02 -0.617516D+01 -0.241699D+02
      6   0.358320D+01  0.359190D+01  0.168707D+01  0.409474D+01 -0.304365D+00
               406           407           408           409           410 
      1   0.981845D+01  0.747202D+01 -0.130358D+02  0.168144D+02  0.706176D+01
      2  -0.463645D+01 -0.188853D+01  0.677323D+01 -0.301460D+01  0.101087D+02
      3  -0.518200D+01 -0.558349D+01  0.626261D+01 -0.137998D+02 -0.171705D+02
      4   0.109003D+02  0.116234D+02 -0.625799D+01  0.368123D+02  0.619921D+02
      5  -0.142865D+02 -0.532224D+01  0.100902D+02 -0.189575D+02 -0.365990D+02
      6  -0.565739D+01 -0.279710D+01  0.234541D+01 -0.115927D+02 -0.245617D+02
               411           412           413           414           415 
      1   0.806683D+00 -0.254110D+02  0.731766D-01  0.695211D+01 -0.300582D+02
      2  -0.372547D+01  0.142283D+02 -0.329332D+01 -0.603924D+01  0.309310D+02
      3   0.291879D+01  0.111827D+02  0.322014D+01 -0.912869D+00 -0.872740D+00
      4  -0.358184D+02 -0.214377D+02 -0.367138D+02  0.339269D+02 -0.407430D+01
      5   0.328226D+02  0.297466D+02  0.334590D+02 -0.405654D+02  0.796618D+01
      6   0.191381D+02  0.108851D+02  0.196054D+02 -0.199640D+02  0.711622D+01
               416           417           418           419           420 
      1   0.319831D+02  0.100061D+02  0.204383D+02 -0.312644D+02 -0.112076D+02
      2  -0.342965D+02 -0.115138D+02 -0.210207D+02  0.421542D+02  0.136205D+02
      3   0.231346D+01  0.150768D+01  0.582431D+00 -0.108898D+02 -0.241294D+01
      4   0.829180D+00  0.180329D+01  0.396911D+01  0.104537D+02  0.340067D+01
      5  -0.669113D+01 -0.821803D+01 -0.534436D+01  0.946255D+01  0.399553D+01
      6  -0.523834D+01 -0.109142D+02 -0.478121D+01  0.835339D+01  0.680937D+01
               421           422           423           424           425 
      1   0.154499D+02 -0.214319D+02 -0.178272D+02  0.295196D+02  0.112678D+02
      2  -0.151268D+02  0.277385D+02  0.146989D+02  0.457823D+01  0.211316D+02
      3  -0.323018D+00 -0.630659D+01  0.312827D+01 -0.340979D+02 -0.323994D+02
      4   0.352813D+01  0.980169D+01 -0.746234D+00  0.573700D+02  0.604694D+02
      5  -0.817892D+01  0.769724D+01  0.869352D+01 -0.975230D+01 -0.104984D+02
      6  -0.104257D+02  0.106875D+02  0.111256D+02 -0.523020D+01 -0.937049D+01
               426           427           428           429           430 
      1   0.120933D+00  0.114957D+02 -0.312227D+00 -0.156473D+01  0.190126D+01
      2  -0.331517D+01  0.124857D+02  0.348048D+02 -0.599552D+00 -0.241555D+01
      3   0.319424D+01 -0.239814D+02 -0.344926D+02  0.216428D+01  0.514294D+00
      4  -0.792060D+01  0.439470D+02  0.629626D+02 -0.643528D+01 -0.316853D+01
      5   0.814093D+01 -0.789474D+01 -0.726129D+01  0.713536D+01  0.676274D+01
      6   0.683357D+01 -0.644058D+01 -0.849140D+01  0.722955D+01  0.556547D+01
               431           432           433           434           435 
      1  -0.250031D+01 -0.813062D+00 -0.139866D+02  0.118867D+02 -0.150623D+02
      2   0.335471D+01  0.331907D+01  0.757771D+01 -0.903427D+01  0.297375D+01
      3  -0.854397D+00 -0.250601D+01  0.640886D+01 -0.285246D+01  0.120885D+02
      4  -0.174266D+01  0.104237D+02 -0.140661D+01  0.121142D+01 -0.498555D+01
      5   0.962158D+01 -0.504279D+01 -0.383527D+01  0.895255D+00 -0.763387D+01
      6   0.980157D+01 -0.512281D+01 -0.839385D+01  0.446422D+01 -0.139191D+02
               436           437           438           439           440 
      1   0.261115D+01 -0.598535D+01  0.405709D+01 -0.132064D+02  0.164100D+02
      2  -0.269075D+01  0.237954D+01 -0.634447D+01  0.317513D+01 -0.139299D+02
      3   0.796017D-01  0.360582D+01  0.228738D+01  0.100312D+02 -0.248005D+01
      4   0.821162D-01 -0.248036D+01 -0.515504D+01 -0.515899D+01 -0.980674D+01
      5  -0.920926D+00 -0.515034D+01  0.118844D+01 -0.398899D+01  0.103560D+02
      6   0.689560D+00 -0.572116D+01  0.670727D+01 -0.105319D+02  0.181719D+02
               441           442           443           444           445 
      1  -0.348545D+02 -0.196765D+01  0.499528D+01  0.961696D+01  0.495536D+01
      2   0.356723D+01 -0.201351D+01 -0.172800D+01 -0.646591D+01 -0.413088D+01
      3   0.312872D+02  0.398115D+01 -0.326728D+01 -0.315105D+01 -0.824480D+00
      4  -0.639873D-01  0.364240D+01  0.434142D+01  0.114947D+01  0.985343D+01
      5  -0.346365D+02  0.924141D+01  0.156052D+01  0.113924D+02  0.900034D+01
      6  -0.403413D+02  0.408289D+01  0.134212D+01 -0.252759D-01  0.607982D+01
               446           447           448           449           450 
      1  -0.128374D+02 -0.180905D+02  0.552935D+01 -0.125927D+02 -0.176984D+02
      2   0.363387D+01 -0.584258D+01 -0.719044D+01 -0.318250D+01 -0.138867D+02
      3   0.920352D+01  0.239331D+02  0.166108D+01  0.157752D+02  0.315851D+02
      4   0.304657D+02  0.246237D+02  0.430284D+01  0.179236D+02  0.220014D+02
      5   0.261975D+02  0.369212D+02  0.146402D+02  0.223935D+02  0.445961D+02
      6   0.266235D+02  0.269348D+02  0.347993D+01  0.200152D+02  0.255366D+02
               451           452           453           454           455 
      1  -0.506128D+02 -0.191003D+02  0.132731D+02 -0.189994D+02 -0.127091D+02
      2   0.229376D+02  0.108066D+02  0.428954D+01  0.961485D+01  0.473779D+01
      3   0.276752D+02  0.829365D+01 -0.175627D+02  0.938453D+01  0.797132D+01
      4  -0.209557D+02 -0.948245D+01 -0.513276D+00 -0.730373D+01 -0.652062D+01
      5  -0.215019D+02 -0.109385D+02 -0.995656D+01 -0.942195D+01  0.117009D+01
      6  -0.720394D+01 -0.537046D+01  0.417368D+00 -0.412642D+01 -0.370675D+01
               456           457           458           459           460 
      1   0.210509D+01  0.454273D+01  0.283326D+00 -0.118690D+02  0.326874D+02
      2   0.329828D+01  0.372050D+01  0.258838D+01  0.469636D+01 -0.268698D+02
      3  -0.540337D+01 -0.826323D+01 -0.287171D+01  0.717260D+01 -0.581756D+01
      4   0.607841D+01 -0.160797D+01  0.311242D+01 -0.424131D+01 -0.207824D+02
      5  -0.468874D+01 -0.552664D+01 -0.379357D+01 -0.541551D+01  0.374776D+02
      6   0.554482D+01  0.425669D+00  0.324017D+01 -0.119026D+01 -0.982920D+01
               461           462           463           464           465 
      1  -0.170880D+02  0.168769D+02 -0.233874D+02  0.104049D+02 -0.993695D+01
      2   0.138041D+02 -0.222813D+02  0.192617D+02 -0.129948D+02  0.180968D+02
      3   0.328385D+01  0.540443D+01  0.412569D+01  0.258987D+01 -0.815982D+01
      4   0.173963D+02 -0.140982D+02  0.217863D+02 -0.281114D+02  0.247509D+02
      5  -0.203043D+02  0.389197D+02 -0.293986D+02  0.291534D+02 -0.324786D+02
      6   0.845187D+01 -0.643359D+01  0.114141D+02 -0.144935D+02  0.155324D+02
               466           467           468           469           470 
      1   0.924774D+01 -0.431781D+01  0.929308D+01  0.976991D+01  0.748222D+01
      2  -0.154011D+02  0.908187D+01 -0.215762D+02 -0.461238D+01 -0.190303D+01
      3   0.615334D+01 -0.476407D+01  0.122831D+02 -0.515753D+01 -0.557918D+01
      4  -0.948104D+01  0.138563D+02 -0.136059D+02  0.108903D+02  0.115982D+02
      5   0.283427D+02 -0.160845D+02  0.375553D+02  0.142589D+02  0.530203D+01
      6  -0.526182D+01  0.971296D+01 -0.800320D+01  0.564959D+01  0.279083D+01
               471           472           473           474           475 
      1   0.130115D+02  0.168294D+02  0.703533D+01 -0.826869D+00  0.253621D+02
      2  -0.676912D+01 -0.303826D+01  0.100975D+02  0.371913D+01 -0.142200D+02
      3  -0.624236D+01 -0.137912D+02 -0.171328D+02 -0.289226D+01 -0.111421D+02
      4   0.623014D+01  0.367929D+02  0.619919D+02  0.358388D+02  0.213951D+02
      5   0.100929D+02  0.189572D+02  0.366212D+02  0.328284D+02  0.297560D+02
      6   0.233952D+01  0.115976D+02  0.245833D+02  0.191514D+02  0.108807D+02
               476           477           478           479           480 
      1  -0.107238D+00  0.695615D+01  0.108011D+03 -0.318606D+02  0.303278D+02
      2   0.328997D+01 -0.606356D+01 -0.652121D+02  0.199480D+02 -0.212684D+02
      3  -0.318274D+01 -0.892586D+00 -0.427989D+02  0.119127D+02 -0.905938D+01
      4   0.366969D+02  0.339150D+02 -0.226338D+02  0.163719D+02 -0.702481D+01
      5   0.334443D+02  0.405823D+02  0.408626D+02 -0.119664D+02  0.256940D+02
      6   0.196063D+02  0.199688D+02 -0.294530D+01  0.223818D+01  0.654866D+00
               481           482           483           484           485 
      1  -0.811609D+02  0.296065D+02 -0.239425D+02  0.375303D+02 -0.101862D+02
      2   0.496089D+02 -0.196728D+02  0.184492D+02 -0.271425D+02  0.900191D+01
      3   0.315520D+02 -0.993366D+01  0.549338D+01 -0.103878D+02  0.118432D+01
      4   0.273824D+02 -0.255004D+02  0.143500D+02 -0.640448D+01  0.119505D+02
      5  -0.318761D+02  0.176718D+02 -0.192631D+02  0.370659D+02 -0.623073D+01
      6   0.444204D+01 -0.360229D+01  0.360967D+01  0.167458D+01  0.410374D+01
               486           487           488           489           490 
      1   0.274691D+02  0.434792D+02  0.100794D+02 -0.237418D+02  0.102364D+02
      2  -0.201742D+02 -0.180648D+02 -0.114704D+01  0.831982D+01  0.567631D+00
      3  -0.729484D+01 -0.254144D+02 -0.893240D+01  0.154220D+02 -0.108041D+02
      4  -0.305930D+01  0.164674D+02  0.142069D+02 -0.141349D+02  0.211987D+02
      5   0.243062D+02 -0.201798D+02 -0.102558D+02  0.198931D+02 -0.108699D+02
      6   0.299024D+00 -0.577297D+01 -0.219999D+01  0.415711D+01 -0.130781D+01
               491           492           493           494           495 
      1   0.138783D+02 -0.112781D+02 -0.474807D+02 -0.170716D+02  0.232536D+02
      2  -0.119463D+01  0.189002D+01  0.183847D+02  0.336187D+01 -0.614479D+01
      3  -0.126837D+02  0.938810D+01  0.290959D+02  0.137097D+02 -0.171088D+02
      4   0.203974D+02 -0.102733D+02 -0.243786D+02 -0.166948D+02  0.192618D+02
      5  -0.716796D+01  0.149791D+02  0.220338D+02  0.146132D+02 -0.473203D+02
      6  -0.154290D+01  0.624987D+01  0.496284D+01  0.534117D+01 -0.111852D+02
               496           497           498           499           500 
      1   0.156500D+03  0.140842D+01 -0.378444D+02  0.441919D+00  0.111833D+02
      2  -0.921490D+02 -0.596372D+00  0.268367D+02  0.335085D+00 -0.522063D+01
      3  -0.643513D+02 -0.812051D+00  0.110077D+02 -0.777004D+00 -0.596264D+01
      4   0.646522D+01  0.130789D+02 -0.847981D+00  0.167365D+02  0.295126D-01
      5  -0.645266D+02 -0.849747D+00  0.342488D+02  0.178755D+00 -0.699353D+01
      6  -0.197843D+01 -0.320479D+01  0.210745D+01 -0.392660D+01 -0.123809D+01
               501           502           503           504           505 
      1   0.209991D+00 -0.210885D+02  0.333075D+00  0.196113D+02  0.434477D+01
      2  -0.924474D+00  0.169133D+02 -0.220364D+01 -0.157748D+02 -0.627394D+01
      3   0.714483D+00  0.417515D+01  0.187057D+01 -0.383657D+01  0.192916D+01
      4  -0.588089D+01 -0.830922D+00 -0.871009D-01 -0.122010D+01 -0.386951D+01
      5  -0.164467D+01  0.276705D+02 -0.138153D+01 -0.171596D+02 -0.938402D+01
      6   0.313538D+01  0.228531D+01  0.167315D+01 -0.943549D-01  0.133597D+01
               506           507           508           509           510 
      1  -0.614309D+01 -0.174233D+02 -0.700483D+01 -0.107888D+02 -0.732047D+01
      2   0.698510D+00  0.194397D+01  0.509642D+01  0.140542D+01 -0.715966D+01
      3   0.544458D+01  0.154793D+02  0.190841D+01  0.938333D+01  0.144801D+02
      4  -0.605193D+01 -0.527461D+01 -0.391935D+00 -0.174238D+02 -0.182843D+02
      5  -0.311311D+01 -0.106262D+02  0.514378D+01 -0.156781D+02 -0.278672D+02
      6   0.274695D+01  0.109009D+01  0.307908D+00  0.733246D+01  0.857194D+01
               511           512           513           514           515 
      1  -0.103843D+02 -0.675577D+01 -0.221603D+02 -0.265459D+02  0.183471D+02
      2   0.607635D+01 -0.589389D+01 -0.166357D+02  0.116731D+02 -0.917502D+01
      3   0.430799D+01  0.126497D+02  0.387960D+02  0.148728D+02 -0.917209D+01
      4   0.250521D+01 -0.153872D+02 -0.237666D+02  0.174587D+01 -0.835312D-01
      5   0.659655D+01 -0.213930D+02 -0.555934D+02 -0.584936D+01  0.502538D+01
      6  -0.904438D+00  0.724727D+01  0.792690D+01 -0.108334D+02  0.874972D+01
               516           517           518           519           520 
      1  -0.300149D+02  0.757440D+01 -0.106666D+02  0.115995D+02 -0.173952D+02
      2   0.734143D+01 -0.372444D+01  0.688209D+01 -0.769066D+01  0.385416D+01
      3   0.226735D+02 -0.384996D+01  0.378450D+01 -0.390887D+01  0.135410D+02
      4   0.150444D+01  0.328761D+01  0.945779D+01 -0.917427D+01 -0.702908D+00
      5  -0.175044D+02  0.832577D+00 -0.974530D+01  0.693289D+01 -0.617565D+01
      6  -0.172315D+02  0.255695D+01 -0.108949D+02  0.116731D+02 -0.876595D+01
               521           522           523           524           525 
      1   0.162587D+02 -0.373348D+02  0.399957D+02  0.248629D+02 -0.922892D+01
      2  -0.681294D+01  0.438896D+01 -0.126472D+02 -0.426903D+00  0.392205D+01
      3  -0.944575D+01  0.329458D+02 -0.273485D+02 -0.244359D+02  0.530687D+01
      4  -0.775489D+01  0.569053D+01  0.481960D+02  0.515864D+02 -0.133288D+02
      5   0.107922D+02 -0.295730D+02 -0.210756D+02 -0.156377D+02  0.150985D+02
      6   0.143209D+02 -0.241523D+02 -0.136316D+02 -0.134966D+02  0.729196D+01
               526           527           528           529           530 
      1   0.242685D+02  0.175825D+02 -0.286322D+01 -0.645915D+00  0.210109D+01
      2   0.552941D+00  0.134619D+02 -0.121006D+01  0.732470D+00  0.101327D+00
      3  -0.248214D+02 -0.310444D+02  0.407328D+01 -0.865547D-01 -0.220242D+01
      4   0.538523D+02  0.713152D+02 -0.211821D+02 -0.216483D+01 -0.980581D+01
      5  -0.190333D+02 -0.250878D+02  0.175607D+02  0.924056D+01  0.128097D+02
      6  -0.159416D+02 -0.231670D+02  0.137980D+02  0.421527D+01  0.960036D+01
               531           532           533           534           535 
      1   0.349732D+00  0.413020D+02 -0.296580D+02  0.437212D+01 -0.327558D+02
      2   0.169859D+01 -0.181701D+02  0.142667D+02 -0.202240D+01  0.129509D+02
      3  -0.204832D+01 -0.231319D+02  0.153912D+02 -0.234972D+01  0.198049D+02
      4   0.131063D+02 -0.361363D+02  0.246481D+02 -0.425832D+01  0.350069D+02
      5  -0.753626D+01  0.519741D+01 -0.395993D+01  0.112115D+02 -0.453145D+01
      6  -0.650579D+01 -0.137963D+01  0.115226D+01 -0.991445D+00  0.181826D+01
               536           537           538           539           540 
      1   0.165805D+02 -0.350114D+01  0.811021D+01 -0.686329D+01  0.102608D+02
      2   0.252079D+01  0.121583D+01 -0.370022D+01  0.323292D+01 -0.657132D+01
      3  -0.191012D+02  0.228531D+01 -0.440999D+01  0.363036D+01 -0.368951D+01
      4  -0.592698D+02  0.620155D+01 -0.867292D+01  0.743996D+01 -0.942351D+01
      5   0.540565D+01 -0.636981D+01  0.164273D+02 -0.859573D+01  0.583158D+01
      6  -0.993698D+00  0.362859D+01 -0.182081D+01  0.482078D+01 -0.105060D+01
               541           542           543           544           545 
      1   0.295800D+02  0.113117D+02 -0.968168D-01  0.115142D+02 -0.270549D+00
      2   0.455403D+01  0.211112D+02  0.330906D+01  0.124668D+02  0.347311D+02
      3  -0.341341D+02 -0.324229D+02 -0.321224D+01 -0.239810D+02 -0.344605D+02
      4   0.574474D+02  0.605097D+02  0.794532D+01  0.439455D+02  0.629112D+02
      5   0.977146D+01  0.105025D+02  0.814854D+01  0.789499D+01  0.725279D+01
      6   0.524693D+01  0.936911D+01  0.683172D+01  0.644232D+01  0.847698D+01
               546           547           548           549           550 
      1   0.157574D+01 -0.187143D+01  0.250783D+01 -0.809610D+00 -0.299821D+02
      2   0.596390D+00  0.241553D+01 -0.333505D+01  0.332563D+01  0.308656D+02
      3  -0.217213D+01 -0.544096D+00  0.827217D+00 -0.251602D+01 -0.883488D+00
      4   0.644144D+01  0.321819D+01  0.179120D+01  0.104396D+02 -0.400144D+01
      5   0.713732D+01  0.677948D+01  0.964008D+01  0.504564D+01 -0.794148D+01
      6   0.723061D+01  0.557010D+01  0.981490D+01  0.512697D+01 -0.712413D+01
               551           552           553           554           555 
      1   0.319647D+02 -0.100306D+02  0.204182D+02 -0.312978D+02  0.112517D+02
      2  -0.342636D+02  0.115396D+02 -0.209859D+02  0.422125D+02 -0.136758D+02
      3   0.229892D+01 -0.150894D+01  0.567639D+00 -0.109146D+02  0.242412D+01
      4   0.832615D+00 -0.178425D+01  0.396874D+01  0.105297D+02 -0.342469D+01
      5   0.670201D+01 -0.822850D+01  0.534682D+01 -0.948976D+01  0.402752D+01
      6   0.527643D+01 -0.109272D+02  0.480401D+01 -0.840790D+01  0.685012D+01
               556           557           558           559           560 
      1  -0.154601D+02  0.214962D+02 -0.178817D+02 -0.140178D+02  0.119192D+02
      2   0.151350D+02 -0.278129D+02  0.147613D+02  0.759497D+01 -0.906976D+01
      3   0.325048D+00  0.631670D+01  0.312047D+01  0.642281D+01 -0.284943D+01
      4  -0.350937D+01 -0.984244D+01 -0.714193D+00 -0.142633D+01  0.119754D+01
      5  -0.818333D+01  0.774244D+01 -0.875572D+01  0.384545D+01 -0.907817D+00
      6  -0.104380D+02  0.107485D+02 -0.111962D+02  0.841713D+01 -0.447854D+01
               561           562           563           564           565 
      1   0.150938D+02  0.262789D+01 -0.600596D+01 -0.407992D+01  0.132356D+02
      2  -0.299979D+01 -0.270826D+01  0.239469D+01  0.635233D+01 -0.319327D+01
      3  -0.120940D+02  0.803776D-01  0.361126D+01 -0.227241D+01 -0.100424D+02
      4   0.499242D+01  0.781002D-01 -0.248841D+01  0.515904D+01  0.516850D+01
      5  -0.765600D+01  0.917271D+00  0.516269D+01  0.120232D+01 -0.401454D+01
      6  -0.139469D+02 -0.699130D+00  0.572931D+01  0.672761D+01 -0.105606D+02
               566           567 
      1  -0.164298D+02 -0.348418D+02
      2   0.139683D+02  0.363494D+01
      3   0.246152D+01  0.312069D+02
      4   0.982189D+01 -0.791592D-01
      5   0.103524D+02  0.345597D+02
      6   0.181754D+02  0.402772D+02
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Sat Aug 28 10:43:15 2021, MaxMem=  7516192768 cpu:          485497.3 elap:           61037.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 1 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
 Alpha Orbitals:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
 Beta  Orbitals:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 2-A.
 Alpha  occ. eigenvalues -- -324.10092 -39.26374 -34.55503 -34.55456 -34.52565
 Alpha  occ. eigenvalues --  -25.09619 -25.09618 -25.09536 -25.09535 -25.09447
 Alpha  occ. eigenvalues --  -25.09445 -19.49296 -19.49294 -19.48201 -19.48200
 Alpha  occ. eigenvalues --  -10.70663 -10.70662 -10.55179 -10.55178 -10.54502
 Alpha  occ. eigenvalues --  -10.54500 -10.46398 -10.46396 -10.46334 -10.46332
 Alpha  occ. eigenvalues --  -10.45739 -10.45738 -10.44996 -10.44996 -10.44591
 Alpha  occ. eigenvalues --  -10.44591 -10.44265 -10.44265 -10.43618 -10.43617
 Alpha  occ. eigenvalues --  -10.43439 -10.43438 -10.43287 -10.43287  -4.61016
 Alpha  occ. eigenvalues --   -3.14845  -3.14803  -3.09339  -1.45146  -1.45146
 Alpha  occ. eigenvalues --   -1.34808  -1.34807  -1.34552  -1.34552  -1.20063
 Alpha  occ. eigenvalues --   -1.19620  -1.17789  -1.17683  -1.04358  -1.04300
 Alpha  occ. eigenvalues --   -0.93134  -0.93003  -0.90889  -0.90888  -0.89313
 Alpha  occ. eigenvalues --   -0.89165  -0.87416  -0.87401  -0.82234  -0.82215
 Alpha  occ. eigenvalues --   -0.81033  -0.81011  -0.80288  -0.80220  -0.76830
 Alpha  occ. eigenvalues --   -0.76712  -0.74000  -0.73664  -0.73549  -0.73549
 Alpha  occ. eigenvalues --   -0.72670  -0.72171  -0.69682  -0.69229  -0.68200
 Alpha  occ. eigenvalues --   -0.67601  -0.65647  -0.65197  -0.64770  -0.63109
 Alpha  occ. eigenvalues --   -0.61663  -0.61649  -0.61420  -0.61418  -0.61204
 Alpha  occ. eigenvalues --   -0.60815  -0.60611  -0.60528  -0.59985  -0.58935
 Alpha  occ. eigenvalues --   -0.58624  -0.58267  -0.58230  -0.57927  -0.57669
 Alpha  occ. eigenvalues --   -0.57542  -0.57242  -0.57087  -0.56923  -0.55289
 Alpha  occ. eigenvalues --   -0.55284  -0.55118  -0.54604  -0.54578  -0.54290
 Alpha  occ. eigenvalues --   -0.53692  -0.53638  -0.53284  -0.52546  -0.52350
 Alpha  occ. eigenvalues --   -0.52085  -0.51964  -0.51616  -0.51033  -0.50760
 Alpha  occ. eigenvalues --   -0.50481  -0.50381  -0.49928  -0.49690  -0.49398
 Alpha  occ. eigenvalues --   -0.49178  -0.46794  -0.46792  -0.46033  -0.46030
 Alpha  occ. eigenvalues --   -0.45500  -0.45314  -0.44488  -0.44409  -0.43449
 Alpha  occ. eigenvalues --   -0.43369  -0.42569  -0.42413  -0.40915  -0.40741
 Alpha  occ. eigenvalues --   -0.38711  -0.36675  -0.34097  -0.33178
 Alpha virt. eigenvalues --    0.00148   0.00623   0.01370   0.02505   0.04145
 Alpha virt. eigenvalues --    0.04354   0.04960   0.05584   0.06171   0.06642
 Alpha virt. eigenvalues --    0.06703   0.06961   0.07544   0.08111   0.08550
 Alpha virt. eigenvalues --    0.08717   0.09194   0.09489   0.10017   0.10041
 Alpha virt. eigenvalues --    0.10974   0.11252   0.11682   0.12062   0.12265
 Alpha virt. eigenvalues --    0.12299   0.13027   0.13522   0.13946   0.14060
 Alpha virt. eigenvalues --    0.14374   0.14467   0.14683   0.14942   0.15319
 Alpha virt. eigenvalues --    0.15499   0.15806   0.16113   0.16317   0.16694
 Alpha virt. eigenvalues --    0.17116   0.17148   0.17175   0.18022   0.18181
 Alpha virt. eigenvalues --    0.18223   0.18895   0.18999   0.19396   0.19817
 Alpha virt. eigenvalues --    0.20150   0.20230   0.20724   0.20868   0.20959
 Alpha virt. eigenvalues --    0.21291   0.21346   0.21489   0.21668   0.21861
 Alpha virt. eigenvalues --    0.22336   0.22448   0.22880   0.23410   0.23668
 Alpha virt. eigenvalues --    0.23765   0.24027   0.24087   0.24399   0.24572
 Alpha virt. eigenvalues --    0.25061   0.25066   0.25327   0.25610   0.25821
 Alpha virt. eigenvalues --    0.26407   0.26543   0.26655   0.27122   0.27253
 Alpha virt. eigenvalues --    0.27647   0.27870   0.28180   0.28350   0.28671
 Alpha virt. eigenvalues --    0.28806   0.28971   0.29212   0.29421   0.29664
 Alpha virt. eigenvalues --    0.30092   0.30380   0.30500   0.30549   0.30876
 Alpha virt. eigenvalues --    0.31188   0.31619   0.31702   0.31914   0.31993
 Alpha virt. eigenvalues --    0.32047   0.32325   0.32586   0.32957   0.33154
 Alpha virt. eigenvalues --    0.33380   0.33625   0.33641   0.33922   0.34243
 Alpha virt. eigenvalues --    0.34340   0.34461   0.34824   0.35062   0.35143
 Alpha virt. eigenvalues --    0.35300   0.35341   0.35407   0.35860   0.35877
 Alpha virt. eigenvalues --    0.36264   0.36350   0.36438   0.36611   0.37060
 Alpha virt. eigenvalues --    0.37219   0.37328   0.37590   0.37707   0.37802
 Alpha virt. eigenvalues --    0.37893   0.38079   0.38339   0.38393   0.38585
 Alpha virt. eigenvalues --    0.38615   0.39045   0.39202   0.39314   0.39927
 Alpha virt. eigenvalues --    0.39955   0.40178   0.40368   0.40377   0.40693
 Alpha virt. eigenvalues --    0.40937   0.41212   0.41513   0.41596   0.41689
 Alpha virt. eigenvalues --    0.41810   0.41993   0.42047   0.42782   0.42835
 Alpha virt. eigenvalues --    0.42910   0.43213   0.43341   0.43548   0.43562
 Alpha virt. eigenvalues --    0.43853   0.44106   0.44128   0.44441   0.44771
 Alpha virt. eigenvalues --    0.44990   0.45032   0.45320   0.45374   0.45810
 Alpha virt. eigenvalues --    0.45900   0.45982   0.46131   0.46469   0.46531
 Alpha virt. eigenvalues --    0.47325   0.47388   0.47567   0.47629   0.47941
 Alpha virt. eigenvalues --    0.48193   0.48254   0.48687   0.48746   0.48811
 Alpha virt. eigenvalues --    0.49244   0.49341   0.49499   0.49515   0.49823
 Alpha virt. eigenvalues --    0.50395   0.50740   0.50809   0.51107   0.51560
 Alpha virt. eigenvalues --    0.51773   0.51777   0.52251   0.52282   0.52307
 Alpha virt. eigenvalues --    0.52460   0.52830   0.52971   0.53070   0.53304
 Alpha virt. eigenvalues --    0.53577   0.54125   0.54208   0.54383   0.54619
 Alpha virt. eigenvalues --    0.54959   0.55162   0.55192   0.55383   0.55537
 Alpha virt. eigenvalues --    0.56015   0.56112   0.56312   0.56362   0.56551
 Alpha virt. eigenvalues --    0.56615   0.57075   0.57318   0.57337   0.57696
 Alpha virt. eigenvalues --    0.57997   0.58002   0.58494   0.58669   0.58773
 Alpha virt. eigenvalues --    0.58906   0.59367   0.59791   0.59810   0.60231
 Alpha virt. eigenvalues --    0.60434   0.60612   0.60881   0.60909   0.61097
 Alpha virt. eigenvalues --    0.61522   0.61574   0.61642   0.61795   0.61957
 Alpha virt. eigenvalues --    0.62004   0.62782   0.62890   0.62996   0.63137
 Alpha virt. eigenvalues --    0.63298   0.63490   0.63561   0.63845   0.64394
 Alpha virt. eigenvalues --    0.64755   0.65042   0.65150   0.65490   0.65800
 Alpha virt. eigenvalues --    0.65916   0.65950   0.66067   0.66417   0.66432
 Alpha virt. eigenvalues --    0.66809   0.66971   0.67176   0.67502   0.67585
 Alpha virt. eigenvalues --    0.67739   0.68045   0.68192   0.68470   0.68759
 Alpha virt. eigenvalues --    0.68780   0.69602   0.70049   0.70053   0.70230
 Alpha virt. eigenvalues --    0.70426   0.70493   0.70675   0.70988   0.71150
 Alpha virt. eigenvalues --    0.71467   0.71532   0.71715   0.71886   0.72433
 Alpha virt. eigenvalues --    0.72533   0.73367   0.73541   0.74077   0.74088
 Alpha virt. eigenvalues --    0.74500   0.74725   0.74808   0.75558   0.75678
 Alpha virt. eigenvalues --    0.76031   0.76196   0.76357   0.76778   0.77004
 Alpha virt. eigenvalues --    0.77586   0.77664   0.77705   0.78115   0.78157
 Alpha virt. eigenvalues --    0.78645   0.78737   0.79245   0.79700   0.79714
 Alpha virt. eigenvalues --    0.80326   0.80743   0.80866   0.80973   0.81237
 Alpha virt. eigenvalues --    0.81494   0.82072   0.82443   0.82913   0.83539
 Alpha virt. eigenvalues --    0.83599   0.84012   0.84256   0.84568   0.84780
 Alpha virt. eigenvalues --    0.84796   0.85287   0.85610   0.86351   0.86430
 Alpha virt. eigenvalues --    0.86443   0.86724   0.87470   0.87557   0.87963
 Alpha virt. eigenvalues --    0.88134   0.88308   0.88549   0.88728   0.89506
 Alpha virt. eigenvalues --    0.89616   0.89823   0.90404   0.90489   0.91440
 Alpha virt. eigenvalues --    0.91735   0.91933   0.92234   0.92372   0.92510
 Alpha virt. eigenvalues --    0.92886   0.93163   0.94070   0.94340   0.94388
 Alpha virt. eigenvalues --    0.94914   0.95712   0.95767   0.96282   0.96831
 Alpha virt. eigenvalues --    0.96935   0.97457   0.97661   0.97896   0.98265
 Alpha virt. eigenvalues --    0.98514   0.99067   0.99955   1.00405   1.00564
 Alpha virt. eigenvalues --    1.00780   1.00788   1.01993   1.01998   1.02698
 Alpha virt. eigenvalues --    1.03283   1.03510   1.03932   1.03968   1.04270
 Alpha virt. eigenvalues --    1.04700   1.04880   1.05214   1.05716   1.06444
 Alpha virt. eigenvalues --    1.06883   1.07317   1.07776   1.07817   1.08254
 Alpha virt. eigenvalues --    1.08483   1.08490   1.09263   1.09288   1.09654
 Alpha virt. eigenvalues --    1.09823   1.10474   1.10479   1.11301   1.11586
 Alpha virt. eigenvalues --    1.12156   1.12350   1.12496   1.12814   1.13034
 Alpha virt. eigenvalues --    1.13317   1.13477   1.13942   1.14211   1.14552
 Alpha virt. eigenvalues --    1.14572   1.15756   1.15815   1.16433   1.16586
 Alpha virt. eigenvalues --    1.16957   1.17671   1.18054   1.18118   1.18866
 Alpha virt. eigenvalues --    1.19188   1.19749   1.19762   1.20373   1.20983
 Alpha virt. eigenvalues --    1.21122   1.22060   1.23077   1.23224   1.23517
 Alpha virt. eigenvalues --    1.24442   1.25992   1.26177   1.26452   1.27336
 Alpha virt. eigenvalues --    1.27393   1.28019   1.28167   1.29085   1.29753
 Alpha virt. eigenvalues --    1.30761   1.31516   1.31787   1.32075   1.32486
 Alpha virt. eigenvalues --    1.33974   1.34075   1.34500   1.34565   1.34968
 Alpha virt. eigenvalues --    1.35615   1.36238   1.36368   1.36994   1.37198
 Alpha virt. eigenvalues --    1.38186   1.38252   1.38904   1.40398   1.40834
 Alpha virt. eigenvalues --    1.41255   1.41921   1.41928   1.42409   1.42922
 Alpha virt. eigenvalues --    1.43090   1.43229   1.44512   1.45277   1.45522
 Alpha virt. eigenvalues --    1.45676   1.45967   1.47094   1.47401   1.47827
 Alpha virt. eigenvalues --    1.48097   1.49795   1.50330   1.50816   1.52575
 Alpha virt. eigenvalues --    1.52648   1.53173   1.53269   1.54177   1.54411
 Alpha virt. eigenvalues --    1.54991   1.55452   1.55692   1.56447   1.57211
 Alpha virt. eigenvalues --    1.57323   1.58095   1.58573   1.58857   1.60345
 Alpha virt. eigenvalues --    1.61433   1.62009   1.62920   1.64036   1.64161
 Alpha virt. eigenvalues --    1.65270   1.65923   1.66678   1.67148   1.67306
 Alpha virt. eigenvalues --    1.67541   1.69062   1.69218   1.69941   1.70908
 Alpha virt. eigenvalues --    1.71401   1.71450   1.72041   1.74116   1.74418
 Alpha virt. eigenvalues --    1.75121   1.75501   1.75762   1.77169   1.77495
 Alpha virt. eigenvalues --    1.77518   1.78217   1.78849   1.79889   1.80428
 Alpha virt. eigenvalues --    1.80845   1.80961   1.81997   1.82927   1.83653
 Alpha virt. eigenvalues --    1.84081   1.84223   1.84651   1.85625   1.85825
 Alpha virt. eigenvalues --    1.86300   1.87308   1.87789   1.88654   1.89117
 Alpha virt. eigenvalues --    1.89489   1.89950   1.90039   1.91220   1.91803
 Alpha virt. eigenvalues --    1.91928   1.92512   1.92843   1.93140   1.93602
 Alpha virt. eigenvalues --    1.93805   1.94107   1.94942   1.95625   1.95766
 Alpha virt. eigenvalues --    1.96512   1.96661   1.97231   1.97674   1.97959
 Alpha virt. eigenvalues --    1.98360   1.99124   1.99483   1.99846   1.99862
 Alpha virt. eigenvalues --    2.01367   2.01817   2.02039   2.02234   2.03043
 Alpha virt. eigenvalues --    2.03554   2.03638   2.03763   2.04438   2.04660
 Alpha virt. eigenvalues --    2.05088   2.05689   2.06169   2.06217   2.06512
 Alpha virt. eigenvalues --    2.07597   2.08206   2.08305   2.08603   2.08931
 Alpha virt. eigenvalues --    2.09010   2.09570   2.10182   2.10535   2.11307
 Alpha virt. eigenvalues --    2.11681   2.12119   2.12787   2.13506   2.13717
 Alpha virt. eigenvalues --    2.13917   2.15189   2.15339   2.15859   2.16225
 Alpha virt. eigenvalues --    2.16252   2.16664   2.17196   2.17369   2.17931
 Alpha virt. eigenvalues --    2.18101   2.18221   2.18509   2.18685   2.19752
 Alpha virt. eigenvalues --    2.19898   2.20657   2.21190   2.21234   2.21350
 Alpha virt. eigenvalues --    2.22156   2.22293   2.23547   2.23795   2.24312
 Alpha virt. eigenvalues --    2.24406   2.25480   2.26209   2.26212   2.26639
 Alpha virt. eigenvalues --    2.27338   2.28113   2.28518   2.28884   2.29880
 Alpha virt. eigenvalues --    2.30596   2.30671   2.31109   2.31345   2.31772
 Alpha virt. eigenvalues --    2.32244   2.32936   2.33729   2.34548   2.35169
 Alpha virt. eigenvalues --    2.35254   2.35383   2.35731   2.36047   2.36995
 Alpha virt. eigenvalues --    2.37386   2.37911   2.38030   2.38054   2.38899
 Alpha virt. eigenvalues --    2.39562   2.41645   2.42275   2.42567   2.42617
 Alpha virt. eigenvalues --    2.42863   2.42924   2.43409   2.44747   2.44782
 Alpha virt. eigenvalues --    2.46851   2.47441   2.47507   2.48631   2.48798
 Alpha virt. eigenvalues --    2.49646   2.50340   2.50766   2.51171   2.51314
 Alpha virt. eigenvalues --    2.52334   2.52513   2.53627   2.54806   2.54841
 Alpha virt. eigenvalues --    2.54893   2.55238   2.57127   2.57512   2.58068
 Alpha virt. eigenvalues --    2.58571   2.59827   2.59858   2.60297   2.60727
 Alpha virt. eigenvalues --    2.61186   2.62219   2.63912   2.64800   2.64964
 Alpha virt. eigenvalues --    2.65695   2.65845   2.68735   2.69145   2.69248
 Alpha virt. eigenvalues --    2.69686   2.72200   2.72353   2.72778   2.73041
 Alpha virt. eigenvalues --    2.74034   2.74411   2.75488   2.75548   2.75751
 Alpha virt. eigenvalues --    2.75969   2.76629   2.76908   2.79060   2.79088
 Alpha virt. eigenvalues --    2.80117   2.80338   2.81990   2.82333   2.84601
 Alpha virt. eigenvalues --    2.84973   2.86486   2.86758   2.87228   2.87474
 Alpha virt. eigenvalues --    2.89308   2.89681   2.92136   2.92630   2.96429
 Alpha virt. eigenvalues --    2.96597   2.99832   3.01110   3.02256   3.04195
 Alpha virt. eigenvalues --    3.04735   3.04950   3.05852   3.06457   3.06715
 Alpha virt. eigenvalues --    3.09492   3.10456   3.11073   3.12067   3.12183
 Alpha virt. eigenvalues --    3.13557   3.13813   3.15019   3.15752   3.17561
 Alpha virt. eigenvalues --    3.17745   3.18445   3.18478   3.19431   3.20473
 Alpha virt. eigenvalues --    3.21580   3.21596   3.23117   3.23381   3.23808
 Alpha virt. eigenvalues --    3.23893   3.26640   3.26764   3.28345   3.28610
 Alpha virt. eigenvalues --    3.29104   3.29309   3.29772   3.30776   3.32995
 Alpha virt. eigenvalues --    3.33012   3.33254   3.36160   3.36388   3.36598
 Alpha virt. eigenvalues --    3.37288   3.37922   3.38821   3.39323   3.40539
 Alpha virt. eigenvalues --    3.41023   3.44178   3.45407   3.45655   3.46498
 Alpha virt. eigenvalues --    3.47546   3.47899   3.49548   3.49608   3.50929
 Alpha virt. eigenvalues --    3.50969   3.54655   3.54934   3.56899   3.57496
 Alpha virt. eigenvalues --    3.58567   3.58596   3.59454   3.59732   3.61375
 Alpha virt. eigenvalues --    3.62689   3.64473   3.64712   3.78115   3.78236
 Alpha virt. eigenvalues --    3.79978   3.80532   3.85226   3.86304   3.89451
 Alpha virt. eigenvalues --    3.92540   4.00375   4.03585   4.08076   4.08098
 Alpha virt. eigenvalues --    4.18768   4.18879   5.78449   5.78457   5.78850
 Alpha virt. eigenvalues --    5.80130   5.80594   5.84562   5.85347
  Beta  occ. eigenvalues -- -324.10162 -39.23695 -34.52551 -34.52514 -34.52136
  Beta  occ. eigenvalues --  -25.09616 -25.09616 -25.09535 -25.09534 -25.09447
  Beta  occ. eigenvalues --  -25.09446 -19.49057 -19.49055 -19.47972 -19.47972
  Beta  occ. eigenvalues --  -10.70635 -10.70634 -10.55188 -10.55187 -10.54517
  Beta  occ. eigenvalues --  -10.54515 -10.46376 -10.46374 -10.46333 -10.46331
  Beta  occ. eigenvalues --  -10.45740 -10.45739 -10.44998 -10.44998 -10.44583
  Beta  occ. eigenvalues --  -10.44582 -10.44265 -10.44265 -10.43618 -10.43617
  Beta  occ. eigenvalues --  -10.43440 -10.43439 -10.43287 -10.43287  -4.57836
  Beta  occ. eigenvalues --   -3.09087  -3.09071  -3.07484  -1.45139  -1.45138
  Beta  occ. eigenvalues --   -1.34805  -1.34804  -1.34547  -1.34546  -1.19782
  Beta  occ. eigenvalues --   -1.19338  -1.17483  -1.17349  -1.04321  -1.04264
  Beta  occ. eigenvalues --   -0.93070  -0.92951  -0.90879  -0.90874  -0.89271
  Beta  occ. eigenvalues --   -0.89124  -0.87348  -0.87299  -0.82226  -0.82208
  Beta  occ. eigenvalues --   -0.80994  -0.80990  -0.80251  -0.80204  -0.76693
  Beta  occ. eigenvalues --   -0.76639  -0.73916  -0.73633  -0.73542  -0.73541
  Beta  occ. eigenvalues --   -0.72236  -0.72052  -0.69175  -0.69080  -0.67658
  Beta  occ. eigenvalues --   -0.65500  -0.65183  -0.64422  -0.62830  -0.62683
  Beta  occ. eigenvalues --   -0.61623  -0.61594  -0.61387  -0.61377  -0.60935
  Beta  occ. eigenvalues --   -0.60788  -0.60399  -0.60340  -0.58653  -0.58348
  Beta  occ. eigenvalues --   -0.58028  -0.57859  -0.57771  -0.57567  -0.57183
  Beta  occ. eigenvalues --   -0.57025  -0.56350  -0.56337  -0.55869  -0.55288
  Beta  occ. eigenvalues --   -0.55275  -0.54509  -0.54258  -0.54069  -0.53798
  Beta  occ. eigenvalues --   -0.53618  -0.53102  -0.52245  -0.52166  -0.51790
  Beta  occ. eigenvalues --   -0.51692  -0.51244  -0.50971  -0.50532  -0.50478
  Beta  occ. eigenvalues --   -0.50237  -0.49910  -0.49476  -0.49338  -0.49034
  Beta  occ. eigenvalues --   -0.46662  -0.46631  -0.46033  -0.46028  -0.45550
  Beta  occ. eigenvalues --   -0.45338  -0.44502  -0.44332  -0.43694  -0.43239
  Beta  occ. eigenvalues --   -0.42562  -0.42011  -0.41091  -0.40813  -0.39716
  Beta  occ. eigenvalues --   -0.37952  -0.34035  -0.33016
  Beta virt. eigenvalues --   -0.01343   0.00217   0.00675   0.01473   0.02619
  Beta virt. eigenvalues --    0.04163   0.04357   0.04972   0.05591   0.06170
  Beta virt. eigenvalues --    0.06651   0.06717   0.06982   0.07548   0.08114
  Beta virt. eigenvalues --    0.08563   0.08719   0.09195   0.09505   0.10037
  Beta virt. eigenvalues --    0.10061   0.10966   0.11255   0.11690   0.12066
  Beta virt. eigenvalues --    0.12261   0.12315   0.13042   0.13538   0.13952
  Beta virt. eigenvalues --    0.14065   0.14381   0.14473   0.14758   0.14952
  Beta virt. eigenvalues --    0.15382   0.15509   0.15852   0.16141   0.16331
  Beta virt. eigenvalues --    0.16704   0.17121   0.17163   0.17184   0.18037
  Beta virt. eigenvalues --    0.18202   0.18249   0.18909   0.19006   0.19407
  Beta virt. eigenvalues --    0.19844   0.20163   0.20245   0.20735   0.20897
  Beta virt. eigenvalues --    0.20968   0.21324   0.21355   0.21512   0.21710
  Beta virt. eigenvalues --    0.21869   0.22362   0.22467   0.22897   0.23430
  Beta virt. eigenvalues --    0.23687   0.23788   0.24036   0.24090   0.24415
  Beta virt. eigenvalues --    0.24599   0.25067   0.25078   0.25344   0.25619
  Beta virt. eigenvalues --    0.25826   0.26419   0.26552   0.26683   0.27138
  Beta virt. eigenvalues --    0.27266   0.27678   0.27896   0.28240   0.28372
  Beta virt. eigenvalues --    0.28709   0.28819   0.28982   0.29230   0.29451
  Beta virt. eigenvalues --    0.29710   0.30102   0.30410   0.30511   0.30584
  Beta virt. eigenvalues --    0.30895   0.31198   0.31633   0.31747   0.31933
  Beta virt. eigenvalues --    0.32018   0.32064   0.32356   0.32608   0.32963
  Beta virt. eigenvalues --    0.33166   0.33392   0.33632   0.33645   0.33938
  Beta virt. eigenvalues --    0.34267   0.34352   0.34468   0.34850   0.35108
  Beta virt. eigenvalues --    0.35168   0.35350   0.35357   0.35450   0.35873
  Beta virt. eigenvalues --    0.35905   0.36299   0.36377   0.36485   0.36629
  Beta virt. eigenvalues --    0.37072   0.37228   0.37348   0.37598   0.37747
  Beta virt. eigenvalues --    0.37827   0.37900   0.38087   0.38349   0.38425
  Beta virt. eigenvalues --    0.38611   0.38635   0.39064   0.39218   0.39335
  Beta virt. eigenvalues --    0.39956   0.39966   0.40193   0.40391   0.40400
  Beta virt. eigenvalues --    0.40711   0.40958   0.41230   0.41519   0.41611
  Beta virt. eigenvalues --    0.41704   0.41827   0.42026   0.42054   0.42815
  Beta virt. eigenvalues --    0.42867   0.42934   0.43224   0.43346   0.43575
  Beta virt. eigenvalues --    0.43583   0.43879   0.44117   0.44148   0.44447
  Beta virt. eigenvalues --    0.44785   0.45011   0.45067   0.45341   0.45421
  Beta virt. eigenvalues --    0.45828   0.45915   0.45996   0.46145   0.46485
  Beta virt. eigenvalues --    0.46562   0.47353   0.47407   0.47587   0.47645
  Beta virt. eigenvalues --    0.47966   0.48222   0.48264   0.48703   0.48757
  Beta virt. eigenvalues --    0.48837   0.49275   0.49360   0.49523   0.49535
  Beta virt. eigenvalues --    0.49859   0.50404   0.50766   0.50867   0.51125
  Beta virt. eigenvalues --    0.51579   0.51804   0.51816   0.52283   0.52315
  Beta virt. eigenvalues --    0.52325   0.52487   0.52850   0.53003   0.53087
  Beta virt. eigenvalues --    0.53327   0.53625   0.54131   0.54237   0.54408
  Beta virt. eigenvalues --    0.54652   0.54997   0.55188   0.55202   0.55413
  Beta virt. eigenvalues --    0.55549   0.56036   0.56126   0.56325   0.56389
  Beta virt. eigenvalues --    0.56616   0.56630   0.57104   0.57345   0.57371
  Beta virt. eigenvalues --    0.57716   0.58018   0.58025   0.58520   0.58691
  Beta virt. eigenvalues --    0.58795   0.58968   0.59379   0.59806   0.59832
  Beta virt. eigenvalues --    0.60247   0.60462   0.60647   0.60893   0.60940
  Beta virt. eigenvalues --    0.61120   0.61543   0.61593   0.61666   0.61817
  Beta virt. eigenvalues --    0.61963   0.62013   0.62801   0.62906   0.63008
  Beta virt. eigenvalues --    0.63166   0.63346   0.63518   0.63620   0.63865
  Beta virt. eigenvalues --    0.64419   0.64771   0.65060   0.65179   0.65524
  Beta virt. eigenvalues --    0.65844   0.65929   0.65974   0.66076   0.66431
  Beta virt. eigenvalues --    0.66461   0.66819   0.66989   0.67205   0.67527
  Beta virt. eigenvalues --    0.67610   0.67766   0.68060   0.68207   0.68489
  Beta virt. eigenvalues --    0.68769   0.68807   0.69640   0.70084   0.70089
  Beta virt. eigenvalues --    0.70250   0.70446   0.70510   0.70695   0.71021
  Beta virt. eigenvalues --    0.71164   0.71505   0.71555   0.71767   0.71906
  Beta virt. eigenvalues --    0.72448   0.72568   0.73378   0.73566   0.74093
  Beta virt. eigenvalues --    0.74103   0.74509   0.74756   0.74843   0.75572
  Beta virt. eigenvalues --    0.75700   0.76047   0.76237   0.76367   0.76798
  Beta virt. eigenvalues --    0.77022   0.77664   0.77686   0.77731   0.78136
  Beta virt. eigenvalues --    0.78181   0.78689   0.78766   0.79261   0.79727
  Beta virt. eigenvalues --    0.79749   0.80349   0.80771   0.80900   0.80989
  Beta virt. eigenvalues --    0.81257   0.81533   0.82096   0.82463   0.82925
  Beta virt. eigenvalues --    0.83555   0.83612   0.84030   0.84271   0.84610
  Beta virt. eigenvalues --    0.84795   0.84818   0.85299   0.85651   0.86369
  Beta virt. eigenvalues --    0.86449   0.86463   0.86734   0.87480   0.87602
  Beta virt. eigenvalues --    0.87989   0.88167   0.88324   0.88578   0.88747
  Beta virt. eigenvalues --    0.89518   0.89626   0.89853   0.90415   0.90537
  Beta virt. eigenvalues --    0.91453   0.91742   0.91955   0.92267   0.92377
  Beta virt. eigenvalues --    0.92531   0.92900   0.93185   0.94086   0.94379
  Beta virt. eigenvalues --    0.94418   0.94959   0.95732   0.95797   0.96305
  Beta virt. eigenvalues --    0.96854   0.96954   0.97479   0.97728   0.97919
  Beta virt. eigenvalues --    0.98283   0.98546   0.99107   0.99973   1.00423
  Beta virt. eigenvalues --    1.00583   1.00807   1.00813   1.02018   1.02034
  Beta virt. eigenvalues --    1.02722   1.03332   1.03533   1.03964   1.03985
  Beta virt. eigenvalues --    1.04283   1.04712   1.04889   1.05248   1.05740
  Beta virt. eigenvalues --    1.06451   1.06921   1.07336   1.07791   1.07825
  Beta virt. eigenvalues --    1.08261   1.08498   1.08500   1.09271   1.09314
  Beta virt. eigenvalues --    1.09721   1.09837   1.10488   1.10506   1.11306
  Beta virt. eigenvalues --    1.11594   1.12206   1.12360   1.12500   1.12838
  Beta virt. eigenvalues --    1.13046   1.13340   1.13489   1.13965   1.14217
  Beta virt. eigenvalues --    1.14579   1.14584   1.15761   1.15858   1.16450
  Beta virt. eigenvalues --    1.16652   1.16972   1.17689   1.18061   1.18143
  Beta virt. eigenvalues --    1.18901   1.19200   1.19767   1.19785   1.20393
  Beta virt. eigenvalues --    1.21077   1.21151   1.22076   1.23091   1.23237
  Beta virt. eigenvalues --    1.23520   1.24523   1.25999   1.26185   1.26457
  Beta virt. eigenvalues --    1.27350   1.27401   1.28028   1.28173   1.29092
  Beta virt. eigenvalues --    1.29836   1.30760   1.31538   1.31812   1.32083
  Beta virt. eigenvalues --    1.32541   1.34005   1.34075   1.34579   1.34595
  Beta virt. eigenvalues --    1.34997   1.35837   1.36268   1.36504   1.37010
  Beta virt. eigenvalues --    1.37226   1.38194   1.38485   1.38924   1.40434
  Beta virt. eigenvalues --    1.40840   1.41263   1.41957   1.42047   1.42426
  Beta virt. eigenvalues --    1.43109   1.43217   1.43466   1.44532   1.45291
  Beta virt. eigenvalues --    1.45574   1.45689   1.46002   1.47128   1.47418
  Beta virt. eigenvalues --    1.47874   1.48119   1.49809   1.50393   1.50830
  Beta virt. eigenvalues --    1.52654   1.52749   1.53219   1.53290   1.54255
  Beta virt. eigenvalues --    1.54479   1.55510   1.55540   1.55737   1.56474
  Beta virt. eigenvalues --    1.57237   1.57338   1.58234   1.58616   1.58979
  Beta virt. eigenvalues --    1.60370   1.61454   1.62045   1.63024   1.64066
  Beta virt. eigenvalues --    1.64237   1.65283   1.65949   1.66764   1.67174
  Beta virt. eigenvalues --    1.67314   1.67670   1.69080   1.69244   1.69977
  Beta virt. eigenvalues --    1.70975   1.71473   1.71519   1.72059   1.74183
  Beta virt. eigenvalues --    1.74469   1.75205   1.75560   1.75880   1.77175
  Beta virt. eigenvalues --    1.77525   1.77532   1.78287   1.78860   1.79910
  Beta virt. eigenvalues --    1.80525   1.80869   1.80979   1.82047   1.82976
  Beta virt. eigenvalues --    1.83661   1.84091   1.84230   1.84669   1.85736
  Beta virt. eigenvalues --    1.85866   1.86319   1.87318   1.87828   1.88685
  Beta virt. eigenvalues --    1.89137   1.89501   1.89970   1.90073   1.91237
  Beta virt. eigenvalues --    1.91816   1.91940   1.92531   1.92853   1.93156
  Beta virt. eigenvalues --    1.93612   1.93822   1.94119   1.94961   1.95652
  Beta virt. eigenvalues --    1.95786   1.96535   1.96673   1.97255   1.97718
  Beta virt. eigenvalues --    1.97977   1.98394   1.99141   1.99494   1.99877
  Beta virt. eigenvalues --    1.99900   2.01381   2.01826   2.02048   2.02279
  Beta virt. eigenvalues --    2.03064   2.03603   2.03665   2.03777   2.04454
  Beta virt. eigenvalues --    2.04665   2.05103   2.05702   2.06190   2.06223
  Beta virt. eigenvalues --    2.06528   2.07607   2.08216   2.08330   2.08624
  Beta virt. eigenvalues --    2.08957   2.09027   2.09592   2.10194   2.10555
  Beta virt. eigenvalues --    2.11320   2.11689   2.12139   2.12793   2.13530
  Beta virt. eigenvalues --    2.13729   2.13936   2.15197   2.15346   2.15865
  Beta virt. eigenvalues --    2.16232   2.16256   2.16671   2.17208   2.17379
  Beta virt. eigenvalues --    2.17956   2.18106   2.18228   2.18521   2.18703
  Beta virt. eigenvalues --    2.19758   2.19907   2.20671   2.21195   2.21241
  Beta virt. eigenvalues --    2.21357   2.22205   2.22298   2.23561   2.23809
  Beta virt. eigenvalues --    2.24326   2.24426   2.25494   2.26214   2.26224
  Beta virt. eigenvalues --    2.26659   2.27344   2.28148   2.28523   2.28898
  Beta virt. eigenvalues --    2.29888   2.30602   2.30678   2.31136   2.31397
  Beta virt. eigenvalues --    2.31790   2.32266   2.32940   2.33776   2.34557
  Beta virt. eigenvalues --    2.35189   2.35296   2.35390   2.35744   2.36062
  Beta virt. eigenvalues --    2.37019   2.37416   2.37924   2.38045   2.38156
  Beta virt. eigenvalues --    2.38915   2.39773   2.41648   2.42283   2.42591
  Beta virt. eigenvalues --    2.42625   2.42877   2.42928   2.43505   2.44801
  Beta virt. eigenvalues --    2.45015   2.46853   2.47443   2.47520   2.48657
  Beta virt. eigenvalues --    2.48809   2.49768   2.50359   2.51068   2.51204
  Beta virt. eigenvalues --    2.51324   2.52355   2.52525   2.53637   2.54833
  Beta virt. eigenvalues --    2.54902   2.54919   2.55246   2.57135   2.57524
  Beta virt. eigenvalues --    2.58064   2.58570   2.59851   2.59922   2.60298
  Beta virt. eigenvalues --    2.60727   2.61267   2.62230   2.64273   2.64807
  Beta virt. eigenvalues --    2.65051   2.65700   2.65858   2.68735   2.69188
  Beta virt. eigenvalues --    2.69264   2.69760   2.72206   2.72358   2.72781
  Beta virt. eigenvalues --    2.73051   2.74036   2.74426   2.75494   2.75582
  Beta virt. eigenvalues --    2.75758   2.75971   2.76628   2.76909   2.79067
  Beta virt. eigenvalues --    2.79091   2.80122   2.80341   2.81990   2.82331
  Beta virt. eigenvalues --    2.84614   2.84986   2.86491   2.86776   2.87230
  Beta virt. eigenvalues --    2.87479   2.89305   2.89681   2.92142   2.92633
  Beta virt. eigenvalues --    2.96473   2.96628   2.99903   3.01193   3.02397
  Beta virt. eigenvalues --    3.04340   3.04894   3.05089   3.05941   3.06486
  Beta virt. eigenvalues --    3.06760   3.09636   3.10474   3.11138   3.12125
  Beta virt. eigenvalues --    3.12261   3.13683   3.13886   3.15064   3.15850
  Beta virt. eigenvalues --    3.17700   3.17775   3.18445   3.18498   3.19602
  Beta virt. eigenvalues --    3.20586   3.21611   3.21679   3.23166   3.23433
  Beta virt. eigenvalues --    3.23830   3.23927   3.26651   3.26767   3.28350
  Beta virt. eigenvalues --    3.28614   3.29150   3.29333   3.29822   3.30803
  Beta virt. eigenvalues --    3.33007   3.33013   3.33256   3.36164   3.36394
  Beta virt. eigenvalues --    3.36649   3.37294   3.37925   3.38870   3.39344
  Beta virt. eigenvalues --    3.40560   3.41086   3.44227   3.45422   3.45658
  Beta virt. eigenvalues --    3.46556   3.47551   3.47951   3.49558   3.49612
  Beta virt. eigenvalues --    3.50931   3.50973   3.54717   3.54976   3.56960
  Beta virt. eigenvalues --    3.57516   3.58594   3.58604   3.59464   3.59788
  Beta virt. eigenvalues --    3.61544   3.62773   3.64498   3.64715   3.78120
  Beta virt. eigenvalues --    3.78242   3.79996   3.80555   3.85322   3.86343
  Beta virt. eigenvalues --    3.89483   3.92619   4.00521   4.03735   4.08078
  Beta virt. eigenvalues --    4.08100   4.18777   4.18889   5.79930   5.81702
  Beta virt. eigenvalues --    5.82443   5.83022   5.83889   5.90259   5.92106
          Condensed to atoms (all electrons):
          Atomic-Atomic Spin Densities.
 Mulliken charges and spin densities:
               1          2
     1  C    1.107367   0.000112
     2  C    0.820502   0.000198
     3  C    0.988215  -0.003127
     4  C   -0.275318  -0.003831
     5  C   -3.627873   0.009434
     6  C    1.217200  -0.000743
     7  C   -4.967678  -0.000649
     8  O    0.682354   0.059798
     9  Cu   0.707749   0.749448
    10  O    0.437855   0.057524
    11  C   -2.313976  -0.001508
    12  C    1.251321   0.007293
    13  F   -0.354316   0.000220
    14  C    1.737416   0.000137
    15  C    1.741697  -0.000069
    16  C    1.919990   0.000201
    17  O    0.679246   0.059836
    18  C   -0.271882  -0.003860
    19  C   -3.626301   0.009438
    20  C   -4.969354  -0.000650
    21  C    0.819688   0.000199
    22  C    0.989638  -0.003114
    23  C    1.107470   0.000111
    24  C    1.217058  -0.000742
    25  C    1.919904   0.000200
    26  C    1.742141  -0.000069
    27  C    1.737248   0.000139
    28  C   -2.314929  -0.001523
    29  C    1.251067   0.007290
    30  F   -0.354333   0.000219
    31  O    0.438198   0.057500
    32  F   -0.357599   0.000279
    33  F   -0.372802  -0.000285
    34  F   -0.372886  -0.000285
    35  F   -0.357556   0.000279
    36  H    0.090863   0.000040
    37  H   -0.274557   0.000341
    38  H   -0.014220   0.000002
    39  H   -0.367954  -0.000023
    40  H   -0.458165  -0.000232
    41  H   -0.016391  -0.000116
    42  H    0.143522  -0.000003
    43  H    0.222239  -0.000003
    44  H   -0.075259  -0.000002
    45  H    0.140626   0.000009
    46  H    0.144854   0.000034
    47  H    0.159043   0.000114
    48  H    0.211332   0.000104
    49  H    0.106136   0.000036
    50  H    0.143573  -0.000003
    51  H   -0.016968  -0.000118
    52  H    0.222201  -0.000003
    53  H    0.144922   0.000034
    54  H    0.140636   0.000010
    55  H   -0.075226  -0.000002
    56  H   -0.013753   0.000001
    57  H   -0.368519  -0.000024
    58  H   -0.274121   0.000341
    59  H    0.091028   0.000039
    60  H   -0.458591  -0.000231
    61  H    0.211473   0.000104
    62  H    0.159232   0.000115
    63  H    0.105521   0.000036
 Sum of Mulliken charges =  -0.00000   1.00000
 Mulliken charges and spin densities with hydrogens summed into heavy atoms:
               1          2
     1  C    0.725095   0.000089
     2  C    0.361912  -0.000033
     3  C    0.988215  -0.003127
     4  C   -0.275318  -0.003831
     5  C   -3.627873   0.009434
     6  C    1.034108  -0.000363
     7  C   -4.967678  -0.000649
     8  O    0.682354   0.059798
     9  Cu   0.707749   0.749448
    10  O    0.437855   0.057524
    11  C   -2.313976  -0.001508
    12  C    1.251321   0.007293
    13  F   -0.354316   0.000220
    14  C    2.213642   0.000393
    15  C    1.952028  -0.000027
    16  C    2.268796   0.000077
    17  O    0.679246   0.059836
    18  C   -0.271882  -0.003860
    19  C   -3.626301   0.009438
    20  C   -4.969354  -0.000650
    21  C    0.361523  -0.000033
    22  C    0.989638  -0.003114
    23  C    0.725297   0.000089
    24  C    1.033363  -0.000361
    25  C    2.269274   0.000078
    26  C    1.952362  -0.000027
    27  C    2.213759   0.000394
    28  C   -2.314929  -0.001523
    29  C    1.251067   0.007290
    30  F   -0.354333   0.000219
    31  O    0.438198   0.057500
    32  F   -0.357599   0.000279
    33  F   -0.372802  -0.000285
    34  F   -0.372886  -0.000285
    35  F   -0.357556   0.000279
 Electronic spatial extent (au):  <R**2>=          19802.6366
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.0019    Y=             -0.0015    Z=              0.8059  Tot=              0.8059
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=           -183.8207   YY=           -227.5079   ZZ=           -208.0285
   XY=             23.3787   XZ=              0.0062   YZ=              0.0013
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             22.6317   YY=            -21.0555   ZZ=             -1.5762
   XY=             23.3787   XZ=              0.0062   YZ=              0.0013
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              0.0543  YYY=              0.0072  ZZZ=            -23.2978  XYY=              0.0036
  XXY=             -0.0050  XXZ=              7.7809  XZZ=             -0.0033  YZZ=              0.0077
  YYZ=              1.3968  XYZ=             -6.9171
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=         -18046.9442 YYYY=          -5326.1193 ZZZZ=          -1544.7868 XXXY=            -23.7352
 XXXZ=              0.0942 YYYX=           -172.6396 YYYZ=              0.0042 ZZZX=             -0.0010
 ZZZY=             -0.0178 XXYY=          -4053.9214 XXZZ=          -3388.9682 YYZZ=          -1125.7522
 XXYZ=             -0.0281 YYXZ=              0.0139 ZZXY=            -94.3682
 N-N= 4.927474494640D+03 E-N=-1.805450247515D+04  KE= 3.445751884519D+03
                          Isotropic Fermi Contact Couplings
        Atom                 a.u.       MegaHertz       Gauss      10(-4) cm-1
     1  C(13)             -0.00007      -0.07859      -0.02804      -0.02621
     2  C(13)             -0.00021      -0.23193      -0.08276      -0.07736
     3  C(13)             -0.00060      -0.67408      -0.24053      -0.22485
     4  C(13)             -0.00153      -1.72185      -0.61440      -0.57435
     5  C(13)              0.00601       6.76195       2.41283       2.25554
     6  C(13)             -0.00054      -0.60856      -0.21715      -0.20299
     7  C(13)             -0.00028      -0.31872      -0.11373      -0.10631
     8  O(17)              0.09612     -58.27056     -20.79238     -19.43696
     9  Cu(63)            -0.11965    -141.92418     -50.64208     -47.34081
    10  O(17)              0.09821     -59.53621     -21.24400     -19.85914
    11  C(13)              0.00267       3.00153       1.07102       1.00120
    12  C(13)              0.01290      14.50097       5.17431       4.83700
    13  F(19)              0.00056       2.33909       0.83465       0.78024
    14  C(13)             -0.00027      -0.30699      -0.10954      -0.10240
    15  C(13)              0.00023       0.25897       0.09241       0.08638
    16  C(13)              0.00002       0.02506       0.00894       0.00836
    17  O(17)              0.09616     -58.29250     -20.80021     -19.44428
    18  C(13)             -0.00153      -1.72347      -0.61498      -0.57489
    19  C(13)              0.00602       6.76346       2.41337       2.25605
    20  C(13)             -0.00028      -0.31946      -0.11399      -0.10656
    21  C(13)             -0.00021      -0.23175      -0.08269      -0.07730
    22  C(13)             -0.00060      -0.67375      -0.24041      -0.22474
    23  C(13)             -0.00007      -0.07887      -0.02814      -0.02631
    24  C(13)             -0.00054      -0.60747      -0.21676      -0.20263
    25  C(13)              0.00002       0.02503       0.00893       0.00835
    26  C(13)              0.00023       0.25897       0.09241       0.08638
    27  C(13)             -0.00027      -0.30675      -0.10945      -0.10232
    28  C(13)              0.00267       3.00586       1.07256       1.00265
    29  C(13)              0.01289      14.49598       5.17253       4.83534
    30  F(19)              0.00055       2.32871       0.83094       0.77677
    31  O(17)              0.09819     -59.52286     -21.23924     -19.85469
    32  F(19)              0.00084       3.54268       1.26412       1.18171
    33  F(19)             -0.00023      -0.95186      -0.33965      -0.31751
    34  F(19)             -0.00023      -0.95226      -0.33979      -0.31764
    35  F(19)              0.00084       3.53504       1.26139       1.17916
    36  H(1)               0.00005       0.22110       0.07889       0.07375
    37  H(1)               0.00003       0.12501       0.04461       0.04170
    38  H(1)              -0.00000      -0.01070      -0.00382      -0.00357
    39  H(1)              -0.00000      -0.01592      -0.00568      -0.00531
    40  H(1)               0.00003       0.13735       0.04901       0.04581
    41  H(1)              -0.00000      -0.01940      -0.00692      -0.00647
    42  H(1)              -0.00000      -0.00211      -0.00075      -0.00071
    43  H(1)              -0.00000      -0.00507      -0.00181      -0.00169
    44  H(1)              -0.00000      -0.00560      -0.00200      -0.00187
    45  H(1)               0.00002       0.10796       0.03852       0.03601
    46  H(1)               0.00000       0.00288       0.00103       0.00096
    47  H(1)               0.00001       0.02364       0.00844       0.00789
    48  H(1)               0.00001       0.05727       0.02043       0.01910
    49  H(1)               0.00001       0.04070       0.01452       0.01358
    50  H(1)              -0.00000      -0.00202      -0.00072      -0.00067
    51  H(1)              -0.00000      -0.01949      -0.00695      -0.00650
    52  H(1)              -0.00000      -0.00511      -0.00182      -0.00170
    53  H(1)               0.00000       0.00293       0.00104       0.00098
    54  H(1)               0.00002       0.10820       0.03861       0.03609
    55  H(1)              -0.00000      -0.00561      -0.00200      -0.00187
    56  H(1)              -0.00000      -0.01077      -0.00384      -0.00359
    57  H(1)              -0.00000      -0.01591      -0.00568      -0.00531
    58  H(1)               0.00003       0.12493       0.04458       0.04167
    59  H(1)               0.00005       0.21967       0.07838       0.07327
    60  H(1)               0.00003       0.13763       0.04911       0.04591
    61  H(1)               0.00001       0.05754       0.02053       0.01919
    62  H(1)               0.00001       0.02367       0.00845       0.00790
    63  H(1)               0.00001       0.04061       0.01449       0.01354
 --------------------------------------------------------
       Center         ----  Spin Dipole Couplings  ----
                      3XX-RR        3YY-RR        3ZZ-RR
 --------------------------------------------------------
     1   Atom        0.001752     -0.000924     -0.000828
     2   Atom        0.002546     -0.001142     -0.001405
     3   Atom        0.004807      0.004371     -0.009178
     4   Atom        0.019849     -0.004994     -0.014854
     5   Atom        0.010185     -0.002692     -0.007493
     6   Atom        0.001607     -0.000733     -0.000874
     7   Atom        0.002161     -0.000918     -0.001243
     8   Atom        0.017815      0.098780     -0.116595
     9   Atom        1.978440      2.007262     -3.985703
    10   Atom       -0.066403      0.174661     -0.108258
    11   Atom        0.015194     -0.003052     -0.012142
    12   Atom       -0.001314      0.008293     -0.006979
    13   Atom       -0.000148      0.002860     -0.002712
    14   Atom        0.000817      0.000586     -0.001404
    15   Atom        0.001233     -0.000587     -0.000647
    16   Atom        0.001193     -0.001042     -0.000151
    17   Atom        0.017650      0.098943     -0.116593
    18   Atom        0.019854     -0.004989     -0.014865
    19   Atom        0.010177     -0.002681     -0.007496
    20   Atom        0.002160     -0.000918     -0.001242
    21   Atom        0.002546     -0.001142     -0.001404
    22   Atom        0.004808      0.004370     -0.009178
    23   Atom        0.001752     -0.000925     -0.000828
    24   Atom        0.001606     -0.000733     -0.000873
    25   Atom        0.001193     -0.001040     -0.000152
    26   Atom        0.001233     -0.000586     -0.000647
    27   Atom        0.000816      0.000587     -0.001403
    28   Atom        0.015195     -0.003061     -0.012134
    29   Atom       -0.001308      0.008286     -0.006977
    30   Atom       -0.000144      0.002851     -0.002707
    31   Atom       -0.066217      0.174397     -0.108179
    32   Atom        0.000729      0.001464     -0.002193
    33   Atom       -0.000436      0.002227     -0.001791
    34   Atom       -0.000438      0.002228     -0.001791
    35   Atom        0.000724      0.001467     -0.002191
    36   Atom        0.000900     -0.000339     -0.000561
    37   Atom        0.001195     -0.000712     -0.000483
    38   Atom        0.001050     -0.000557     -0.000493
    39   Atom        0.001444     -0.000999     -0.000445
    40   Atom        0.001784     -0.000768     -0.001016
    41   Atom        0.001468     -0.001737      0.000269
    42   Atom        0.000640     -0.000693      0.000053
    43   Atom        0.000844     -0.000696     -0.000147
    44   Atom        0.000877     -0.000387     -0.000490
    45   Atom        0.000760     -0.000384     -0.000376
    46   Atom        0.000665     -0.000303     -0.000362
    47   Atom        0.000007      0.001784     -0.001791
    48   Atom        0.000459      0.000309     -0.000768
    49   Atom        0.000263      0.000374     -0.000637
    50   Atom        0.000640     -0.000694      0.000055
    51   Atom        0.001470     -0.001740      0.000270
    52   Atom        0.000843     -0.000697     -0.000146
    53   Atom        0.000665     -0.000304     -0.000361
    54   Atom        0.000760     -0.000384     -0.000376
    55   Atom        0.000877     -0.000388     -0.000490
    56   Atom        0.001050     -0.000556     -0.000494
    57   Atom        0.001443     -0.000997     -0.000446
    58   Atom        0.001196     -0.000713     -0.000483
    59   Atom        0.000901     -0.000340     -0.000561
    60   Atom        0.001784     -0.000768     -0.001016
    61   Atom        0.000460      0.000308     -0.000768
    62   Atom        0.000009      0.001781     -0.001790
    63   Atom        0.000264      0.000375     -0.000639
 --------------------------------------------------------
                        XY            XZ            YZ
 --------------------------------------------------------
     1   Atom        0.000207     -0.000840     -0.000011
     2   Atom       -0.000335     -0.000035      0.000034
     3   Atom       -0.001598      0.000132     -0.000471
     4   Atom        0.001969      0.001052      0.001062
     5   Atom        0.008738      0.000626      0.000381
     6   Atom        0.001161     -0.000845     -0.000345
     7   Atom        0.000165      0.000878      0.000017
     8   Atom        0.204182      0.045962      0.056084
     9   Atom       -0.027041     -0.004301     -0.001017
    10   Atom       -0.152410     -0.031355      0.065194
    11   Atom       -0.006137     -0.000787      0.000904
    12   Atom       -0.008235     -0.000864      0.001669
    13   Atom       -0.003589      0.001016     -0.001616
    14   Atom        0.002075      0.000617      0.000621
    15   Atom        0.000425      0.000353      0.000077
    16   Atom        0.000231      0.001443      0.000097
    17   Atom        0.204202     -0.046103     -0.056229
    18   Atom        0.001981     -0.001022     -0.001047
    19   Atom        0.008749     -0.000608     -0.000372
    20   Atom        0.000167     -0.000876     -0.000018
    21   Atom       -0.000334      0.000037     -0.000035
    22   Atom       -0.001601     -0.000134      0.000467
    23   Atom        0.000209      0.000841      0.000011
    24   Atom        0.001164      0.000848      0.000347
    25   Atom        0.000231     -0.001440     -0.000097
    26   Atom        0.000426     -0.000352     -0.000077
    27   Atom        0.002075     -0.000618     -0.000622
    28   Atom       -0.006130      0.000797     -0.000915
    29   Atom       -0.008237      0.000864     -0.001669
    30   Atom       -0.003582     -0.001014      0.001610
    31   Atom       -0.152466      0.031368     -0.065188
    32   Atom       -0.004390      0.002380     -0.002809
    33   Atom       -0.002621      0.000524     -0.000702
    34   Atom       -0.002621     -0.000523      0.000704
    35   Atom       -0.004384     -0.002375      0.002805
    36   Atom        0.000835      0.000497      0.000251
    37   Atom        0.001489      0.001637      0.000856
    38   Atom        0.000119      0.000433      0.000013
    39   Atom       -0.000044      0.001282     -0.000038
    40   Atom       -0.000518     -0.000161     -0.000006
    41   Atom        0.000101     -0.002667     -0.000023
    42   Atom        0.000459     -0.001128     -0.000330
    43   Atom       -0.000067     -0.000965      0.000053
    44   Atom        0.000349     -0.000015      0.000004
    45   Atom        0.000101     -0.000283     -0.000015
    46   Atom        0.000419     -0.000375     -0.000146
    47   Atom        0.002272     -0.000126     -0.000163
    48   Atom        0.001109     -0.000275     -0.000278
    49   Atom        0.001723     -0.001146     -0.001301
    50   Atom        0.000460      0.001130      0.000331
    51   Atom        0.000100      0.002672      0.000022
    52   Atom       -0.000067      0.000966     -0.000053
    53   Atom        0.000419      0.000376      0.000146
    54   Atom        0.000101      0.000284      0.000014
    55   Atom        0.000348      0.000016     -0.000004
    56   Atom        0.000118     -0.000432     -0.000013
    57   Atom       -0.000045     -0.001280      0.000039
    58   Atom        0.001486     -0.001636     -0.000853
    59   Atom        0.000834     -0.000496     -0.000250
    60   Atom       -0.000520      0.000163      0.000006
    61   Atom        0.001109      0.000275      0.000278
    62   Atom        0.002271      0.000125      0.000160
    63   Atom        0.001725      0.001146      0.001301
 --------------------------------------------------------


 ---------------------------------------------------------------------------------
              Anisotropic Spin Dipole Couplings in Principal Axis System
 ---------------------------------------------------------------------------------

       Atom             a.u.   MegaHertz   Gauss  10(-4) cm-1        Axes

              Baa    -0.0011    -0.147    -0.052    -0.049  0.2901 -0.2999  0.9088
     1 C(13)  Bbb    -0.0009    -0.124    -0.044    -0.041  0.0226  0.9515  0.3068
              Bcc     0.0020     0.270     0.096     0.090  0.9567  0.0684 -0.2829
 
              Baa    -0.0014    -0.189    -0.067    -0.063 -0.0022 -0.1297  0.9916
     2 C(13)  Bbb    -0.0012    -0.157    -0.056    -0.052  0.0904  0.9875  0.1293
              Bcc     0.0026     0.346     0.123     0.115  0.9959 -0.0899 -0.0096
 
              Baa    -0.0092    -1.234    -0.440    -0.412 -0.0055  0.0341  0.9994
     3 C(13)  Bbb     0.0030     0.400     0.143     0.133  0.6595  0.7514 -0.0220
              Bcc     0.0062     0.834     0.297     0.278  0.7517 -0.6590  0.0266
 
              Baa    -0.0150    -2.011    -0.718    -0.671 -0.0243 -0.1009  0.9946
     4 C(13)  Bbb    -0.0051    -0.678    -0.242    -0.226 -0.0826  0.9917  0.0986
              Bcc     0.0200     2.689     0.960     0.897  0.9963  0.0797  0.0325
 
              Baa    -0.0075    -1.010    -0.360    -0.337  0.0321 -0.1361  0.9902
     5 C(13)  Bbb    -0.0071    -0.953    -0.340    -0.318 -0.4509  0.8822  0.1359
              Bcc     0.0146     1.962     0.700     0.655  0.8920  0.4508  0.0330
 
              Baa    -0.0012    -0.163    -0.058    -0.054 -0.3888  0.9208 -0.0311
     6 C(13)  Bbb    -0.0011    -0.152    -0.054    -0.051  0.2399  0.1338  0.9615
              Bcc     0.0023     0.315     0.112     0.105  0.8895  0.3664 -0.2729
 
              Baa    -0.0015    -0.195    -0.070    -0.065 -0.2373  0.0415  0.9705
     7 C(13)  Bbb    -0.0009    -0.124    -0.044    -0.041 -0.0384  0.9979 -0.0521
              Bcc     0.0024     0.320     0.114     0.107  0.9707  0.0496  0.2353
 
              Baa    -0.1499    10.844     3.869     3.617  0.7724 -0.6351  0.0035
     8 O(17)  Bbb    -0.1299     9.397     3.353     3.134 -0.1170 -0.1368  0.9837
              Bcc     0.2797   -20.240    -7.222    -6.751  0.6242  0.7602  0.1800
 
              Baa    -3.9857  -564.303  -201.357  -188.231  0.0007  0.0002  1.0000
     9 Cu(63) Bbb     1.9622   277.813    99.131    92.669  0.8574  0.5146 -0.0007
              Bcc     2.0235   286.490   102.227    95.563 -0.5146  0.8574  0.0002
 
              Baa    -0.1402    10.144     3.619     3.384  0.8992  0.4374 -0.0099
    10 O(17)  Bbb    -0.1224     8.855     3.160     2.954  0.0925 -0.1679  0.9814
              Bcc     0.2626   -18.998    -6.779    -6.337 -0.4276  0.8835  0.1915
 
              Baa    -0.0122    -1.642    -0.586    -0.548  0.0078 -0.0928  0.9956
    11 C(13)  Bbb    -0.0049    -0.653    -0.233    -0.218  0.2945  0.9517  0.0864
              Bcc     0.0171     2.295     0.819     0.765  0.9556 -0.2926 -0.0348
 
              Baa    -0.0072    -0.961    -0.343    -0.320 -0.0174 -0.1165  0.9930
    12 C(13)  Bbb    -0.0060    -0.810    -0.289    -0.270  0.8684  0.4905  0.0728
              Bcc     0.0132     1.771     0.632     0.591 -0.4956  0.8636  0.0927
 
              Baa    -0.0031    -1.582    -0.564    -0.528 -0.0581  0.2267  0.9722
    13 F(19)  Bbb    -0.0025    -1.272    -0.454    -0.424  0.8403  0.5369 -0.0750
              Bcc     0.0057     2.853     1.018     0.952 -0.5390  0.8126 -0.2217
 
              Baa    -0.0016    -0.212    -0.076    -0.071 -0.0543 -0.2263  0.9725
    14 C(13)  Bbb    -0.0014    -0.184    -0.066    -0.061 -0.7007  0.7026  0.1243
              Bcc     0.0030     0.397     0.141     0.132  0.7114  0.6747  0.1967
 
              Baa    -0.0007    -0.095    -0.034    -0.032 -0.1805  0.0083  0.9835
    15 C(13)  Bbb    -0.0007    -0.091    -0.033    -0.030 -0.2085  0.9769 -0.0465
              Bcc     0.0014     0.187     0.067     0.062  0.9612  0.2134  0.1746
 
              Baa    -0.0011    -0.149    -0.053    -0.050 -0.4436  0.6645  0.6013
    16 C(13)  Bbb    -0.0010    -0.137    -0.049    -0.046  0.3089  0.7432 -0.5935
              Bcc     0.0021     0.286     0.102     0.095  0.8413  0.0775  0.5350
 
              Baa    -0.1499    10.847     3.871     3.618  0.7729 -0.6345 -0.0014
    17 O(17)  Bbb    -0.1299     9.402     3.355     3.136  0.1155  0.1386  0.9836
              Bcc     0.2798   -20.249    -7.225    -6.754  0.6239  0.7604 -0.1804
 
              Baa    -0.0150    -2.012    -0.718    -0.671  0.0235  0.0994  0.9948
    18 C(13)  Bbb    -0.0051    -0.678    -0.242    -0.226 -0.0829  0.9918 -0.0972
              Bcc     0.0200     2.690     0.960     0.897  0.9963  0.0801 -0.0316
 
              Baa    -0.0075    -1.010    -0.360    -0.337 -0.0329  0.1354  0.9902
    19 C(13)  Bbb    -0.0071    -0.953    -0.340    -0.318 -0.4514  0.8820 -0.1356
              Bcc     0.0146     1.963     0.700     0.655  0.8917  0.4514 -0.0321
 
              Baa    -0.0015    -0.195    -0.070    -0.065  0.2369 -0.0406  0.9707
    20 C(13)  Bbb    -0.0009    -0.124    -0.044    -0.041 -0.0394  0.9979  0.0513
              Bcc     0.0024     0.319     0.114     0.107  0.9707  0.0504 -0.2348
 
              Baa    -0.0014    -0.189    -0.067    -0.063  0.0019  0.1307  0.9914
    21 C(13)  Bbb    -0.0012    -0.157    -0.056    -0.052  0.0900  0.9874 -0.1303
              Bcc     0.0026     0.346     0.123     0.115  0.9959 -0.0895  0.0099
 
              Baa    -0.0092    -1.234    -0.440    -0.412  0.0057 -0.0337  0.9994
    22 C(13)  Bbb     0.0030     0.400     0.143     0.133  0.6593  0.7515  0.0216
              Bcc     0.0062     0.834     0.298     0.278  0.7518 -0.6588 -0.0265
 
              Baa    -0.0011    -0.147    -0.052    -0.049 -0.2907  0.3000  0.9086
    23 C(13)  Bbb    -0.0009    -0.124    -0.044    -0.041  0.0223  0.9515 -0.3070
              Bcc     0.0020     0.271     0.097     0.090  0.9566  0.0690  0.2833
 
              Baa    -0.0012    -0.163    -0.058    -0.054 -0.3896  0.9204  0.0322
    24 C(13)  Bbb    -0.0011    -0.152    -0.054    -0.051 -0.2399 -0.1352  0.9613
              Bcc     0.0023     0.315     0.112     0.105  0.8892  0.3668  0.2735
 
              Baa    -0.0011    -0.149    -0.053    -0.050 -0.4439  0.6634 -0.6023
    25 C(13)  Bbb    -0.0010    -0.137    -0.049    -0.046  0.3080  0.7442  0.5927
              Bcc     0.0021     0.286     0.102     0.095  0.8415  0.0776 -0.5346
 
              Baa    -0.0007    -0.095    -0.034    -0.032  0.1799 -0.0085  0.9836
    26 C(13)  Bbb    -0.0007    -0.091    -0.033    -0.030 -0.2090  0.9768  0.0467
              Bcc     0.0014     0.187     0.067     0.062  0.9612  0.2139 -0.1739
 
              Baa    -0.0016    -0.212    -0.076    -0.071  0.0542  0.2268  0.9724
    27 C(13)  Bbb    -0.0014    -0.184    -0.066    -0.061 -0.7009  0.7023 -0.1248
              Bcc     0.0030     0.397     0.142     0.132  0.7112  0.6748 -0.1970
 
              Baa    -0.0122    -1.641    -0.585    -0.547 -0.0079  0.0941  0.9955
    28 C(13)  Bbb    -0.0049    -0.654    -0.233    -0.218  0.2942  0.9517 -0.0876
              Bcc     0.0171     2.294     0.819     0.765  0.9557 -0.2922  0.0352
 
              Baa    -0.0072    -0.961    -0.343    -0.320  0.0178  0.1168  0.9930
    29 C(13)  Bbb    -0.0060    -0.810    -0.289    -0.270  0.8682  0.4908 -0.0733
              Bcc     0.0132     1.771     0.632     0.591 -0.4959  0.8634 -0.0927
 
              Baa    -0.0031    -1.578    -0.563    -0.526  0.0584 -0.2263  0.9723
    30 F(19)  Bbb    -0.0025    -1.268    -0.453    -0.423  0.8401  0.5373  0.0746
              Bcc     0.0057     2.847     1.016     0.950 -0.5393  0.8124  0.2215
 
              Baa    -0.1401    10.140     3.618     3.382  0.8989  0.4381  0.0113
    31 O(17)  Bbb    -0.1223     8.849     3.158     2.952 -0.0939  0.1674  0.9814
              Bcc     0.2624   -18.989    -6.776    -6.334 -0.4280  0.8832 -0.1916
 
              Baa    -0.0037    -1.866    -0.666    -0.622  0.0002  0.4768  0.8790
    32 F(19)  Bbb    -0.0033    -1.638    -0.585    -0.546  0.7812  0.5487 -0.2978
              Bcc     0.0070     3.504     1.250     1.169 -0.6243  0.6868 -0.3723
 
              Baa    -0.0021    -1.046    -0.373    -0.349  0.7991  0.4151 -0.4349
    33 F(19)  Bbb    -0.0019    -0.947    -0.338    -0.316  0.3039  0.3454  0.8879
              Bcc     0.0040     1.993     0.711     0.665 -0.5187  0.8417 -0.1498
 
              Baa    -0.0021    -1.046    -0.373    -0.349  0.8006  0.4164  0.4309
    34 F(19)  Bbb    -0.0019    -0.947    -0.338    -0.316 -0.3003 -0.3435  0.8899
              Bcc     0.0040     1.993     0.711     0.665 -0.5186  0.8418  0.1500
 
              Baa    -0.0037    -1.864    -0.665    -0.622 -0.0000 -0.4763  0.8793
    35 F(19)  Bbb    -0.0033    -1.636    -0.584    -0.546  0.7815  0.5486  0.2972
              Bcc     0.0070     3.499     1.249     1.167 -0.6240  0.6871  0.3722
 
              Baa    -0.0008    -0.405    -0.145    -0.135 -0.4473  0.8943 -0.0098
    36 H(1)   Bbb    -0.0007    -0.381    -0.136    -0.127 -0.2403 -0.1096  0.9645
              Bcc     0.0015     0.786     0.280     0.262  0.8615  0.4338  0.2639
 
              Baa    -0.0015    -0.821    -0.293    -0.274 -0.5983  0.7260  0.3390
    37 H(1)   Bbb    -0.0015    -0.775    -0.277    -0.259 -0.1981 -0.5440  0.8154
              Bcc     0.0030     1.596     0.570     0.532  0.7764  0.4207  0.4693
 
              Baa    -0.0006    -0.327    -0.117    -0.109 -0.2599  0.3346  0.9058
    38 H(1)   Bbb    -0.0006    -0.298    -0.106    -0.099  0.0223  0.9399 -0.3408
              Bcc     0.0012     0.625     0.223     0.208  0.9654  0.0684  0.2517
 
              Baa    -0.0011    -0.584    -0.209    -0.195 -0.4438  0.1472  0.8840
    39 H(1)   Bbb    -0.0010    -0.532    -0.190    -0.178  0.0824  0.9889 -0.1233
              Bcc     0.0021     1.117     0.398     0.372  0.8923 -0.0181  0.4510
 
              Baa    -0.0010    -0.551    -0.197    -0.184  0.0938  0.2066  0.9739
    40 H(1)   Bbb    -0.0009    -0.459    -0.164    -0.153  0.1746  0.9597 -0.2204
              Bcc     0.0019     1.010     0.360     0.337  0.9802 -0.1907 -0.0539
 
              Baa    -0.0019    -1.003    -0.358    -0.335  0.5988 -0.3062  0.7401
    41 H(1)   Bbb    -0.0017    -0.920    -0.328    -0.307  0.1783  0.9518  0.2496
              Bcc     0.0036     1.923     0.686     0.641  0.7808  0.0175 -0.6245
 
              Baa    -0.0008    -0.450    -0.161    -0.150 -0.5181  0.7724 -0.3673
    42 H(1)   Bbb    -0.0008    -0.429    -0.153    -0.143  0.3721  0.5902  0.7164
              Bcc     0.0016     0.879     0.314     0.293  0.7702  0.2345 -0.5932
 
              Baa    -0.0007    -0.394    -0.141    -0.132  0.4968 -0.2462  0.8322
    43 H(1)   Bbb    -0.0007    -0.372    -0.133    -0.124  0.1614  0.9684  0.1902
              Bcc     0.0014     0.766     0.273     0.256  0.8527 -0.0398 -0.5208
 
              Baa    -0.0005    -0.263    -0.094    -0.088  0.1166 -0.4181  0.9009
    44 H(1)   Bbb    -0.0005    -0.253    -0.090    -0.084 -0.2206  0.8735  0.4339
              Bcc     0.0010     0.516     0.184     0.172  0.9684  0.2493 -0.0096
 
              Baa    -0.0004    -0.237    -0.085    -0.079  0.2390 -0.1700  0.9560
    45 H(1)   Bbb    -0.0004    -0.208    -0.074    -0.070 -0.0410  0.9819  0.1848
              Bcc     0.0008     0.446     0.159     0.149  0.9701  0.0834 -0.2277
 
              Baa    -0.0005    -0.260    -0.093    -0.087  0.1989  0.2905  0.9360
    46 H(1)   Bbb    -0.0005    -0.245    -0.087    -0.082 -0.3991  0.8963 -0.1934
              Bcc     0.0009     0.504     0.180     0.168  0.8951  0.3351 -0.2943
 
              Baa    -0.0018    -0.960    -0.343    -0.320  0.0630  0.0055  0.9980
    47 H(1)   Bbb    -0.0015    -0.823    -0.294    -0.275  0.8238 -0.5648 -0.0489
              Bcc     0.0033     1.784     0.636     0.595  0.5634  0.8252 -0.0401
 
              Baa    -0.0008    -0.446    -0.159    -0.149  0.0222  0.2160  0.9762
    48 H(1)   Bbb    -0.0007    -0.387    -0.138    -0.129 -0.6940  0.7062 -0.1404
              Bcc     0.0016     0.833     0.297     0.278  0.7197  0.6743 -0.1656
 
              Baa    -0.0015    -0.816    -0.291    -0.272 -0.1029  0.6230  0.7755
    49 H(1)   Bbb    -0.0014    -0.727    -0.259    -0.243  0.7791 -0.4343  0.4522
              Bcc     0.0029     1.543     0.551     0.515  0.6185  0.6506 -0.4407
 
              Baa    -0.0008    -0.451    -0.161    -0.150 -0.5173  0.7742  0.3648
    50 H(1)   Bbb    -0.0008    -0.430    -0.153    -0.143 -0.3739 -0.5879  0.7173
              Bcc     0.0017     0.881     0.314     0.294  0.7698  0.2346  0.5936
 
              Baa    -0.0019    -1.005    -0.358    -0.335 -0.5986  0.3071  0.7398
    51 H(1)   Bbb    -0.0017    -0.922    -0.329    -0.307  0.1791  0.9515 -0.2500
              Bcc     0.0036     1.926     0.687     0.643  0.7807  0.0171  0.6246
 
              Baa    -0.0007    -0.394    -0.141    -0.132 -0.4970  0.2481  0.8315
    52 H(1)   Bbb    -0.0007    -0.372    -0.133    -0.124  0.1625  0.9679 -0.1917
              Bcc     0.0014     0.767     0.274     0.256  0.8524 -0.0398  0.5214
 
              Baa    -0.0005    -0.260    -0.093    -0.087 -0.1995 -0.2904  0.9359
    53 H(1)   Bbb    -0.0005    -0.245    -0.087    -0.082 -0.3989  0.8964  0.1931
              Bcc     0.0009     0.504     0.180     0.168  0.8950  0.3348  0.2947
 
              Baa    -0.0004    -0.237    -0.085    -0.079 -0.2397  0.1710  0.9557
    54 H(1)   Bbb    -0.0004    -0.209    -0.074    -0.070 -0.0402  0.9818 -0.1858
              Bcc     0.0008     0.446     0.159     0.149  0.9700  0.0830  0.2284
 
              Baa    -0.0005    -0.263    -0.094    -0.088 -0.1168  0.4181  0.9008
    55 H(1)   Bbb    -0.0005    -0.253    -0.090    -0.084 -0.2199  0.8737 -0.4340
              Bcc     0.0010     0.516     0.184     0.172  0.9685  0.2488  0.0101
 
              Baa    -0.0006    -0.327    -0.117    -0.109  0.2591 -0.3344  0.9061
    56 H(1)   Bbb    -0.0006    -0.298    -0.106    -0.099  0.0225  0.9400  0.3405
              Bcc     0.0012     0.625     0.223     0.208  0.9656  0.0678 -0.2511
 
              Baa    -0.0011    -0.584    -0.208    -0.195  0.4433 -0.1470  0.8842
    57 H(1)   Bbb    -0.0010    -0.532    -0.190    -0.177  0.0827  0.9890  0.1229
              Bcc     0.0021     1.115     0.398     0.372  0.8925 -0.0187 -0.4506
 
              Baa    -0.0015    -0.820    -0.293    -0.274 -0.5987  0.7238 -0.3431
    58 H(1)   Bbb    -0.0015    -0.774    -0.276    -0.258  0.1956  0.5474  0.8137
              Bcc     0.0030     1.594     0.569     0.532  0.7768  0.4200 -0.4693
 
              Baa    -0.0008    -0.405    -0.144    -0.135 -0.4464  0.8948  0.0107
    59 H(1)   Bbb    -0.0007    -0.380    -0.136    -0.127  0.2406  0.1084  0.9646
              Bcc     0.0015     0.785     0.280     0.262  0.8619  0.4332 -0.2637
 
              Baa    -0.0010    -0.551    -0.197    -0.184 -0.0944 -0.2064  0.9739
    60 H(1)   Bbb    -0.0009    -0.459    -0.164    -0.153  0.1750  0.9596  0.2203
              Bcc     0.0019     1.010     0.361     0.337  0.9800 -0.1912  0.0545
 
              Baa    -0.0008    -0.446    -0.159    -0.149 -0.0225 -0.2156  0.9762
    61 H(1)   Bbb    -0.0007    -0.387    -0.138    -0.129 -0.6936  0.7066  0.1401
              Bcc     0.0016     0.833     0.297     0.278  0.7200  0.6740  0.1655
 
              Baa    -0.0018    -0.960    -0.342    -0.320 -0.0627 -0.0049  0.9980
    62 H(1)   Bbb    -0.0015    -0.823    -0.294    -0.274  0.8235 -0.5652  0.0489
              Bcc     0.0033     1.782     0.636     0.595  0.5639  0.8249  0.0395
 
              Baa    -0.0015    -0.817    -0.291    -0.272  0.1029 -0.6226  0.7758
    63 H(1)   Bbb    -0.0014    -0.727    -0.260    -0.243  0.7790 -0.4345 -0.4520
              Bcc     0.0029     1.544     0.551     0.515  0.6185  0.6508  0.4403
 

 ---------------------------------------------------------------------------------

 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Sat Aug 28 10:43:22 2021, MaxMem=  7516192768 cpu:              41.1 elap:               7.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 6.14305810D-04-5.78048231D-04 2.81598286D-01
 Polarizability= 4.22616738D+02 2.95663908D+01 3.16039506D+02
                 8.19782730D-04-1.59480021D-03 2.42463211D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0025   -0.0026       17.5338   17.4927
 2      0.0025    0.0026        0.0015    0.0014      -31.4717  -31.4561
 3    -17.5338  -17.4927       75.1264   75.1074       -0.0013   -0.0014
 4     -0.0015   -0.0014        0.0000    0.0000      -17.4724  -17.4927
 5    -43.6547  -43.6514       17.4724   17.4927       -0.0026   -0.0026
 6      0.0013    0.0014        0.0026    0.0026        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0079    0.0079       52.4779   52.4781
 2     -0.0042   -0.0042       -0.0000    0.0000       52.4783   52.4781
 3     -0.0042   -0.0042        0.0079    0.0079        0.0000    0.0000
 4      0.0079    0.0079        0.0042    0.0042      -94.3682  -94.3682
 5    -52.4787  -52.4781      225.3223  225.3223       -0.0042   -0.0042
 6   -130.9542 -130.9542       52.4776   52.4781       -0.0079   -0.0079
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0014    0.0000        0.0023    0.0105      -75.9073  -69.9709
 2      0.0053   -0.0105       -0.0283   -0.0056      127.4366  125.8242
 3     70.9758   69.9709     -300.5225 -300.4298        0.0196    0.0056
 4      0.0132    0.0056       -0.0117    0.0000       69.5908   69.9709
 5    174.6821  174.6055      -69.6246  -69.9709        0.0124    0.0105
 6     -0.0136   -0.0056       -0.0099   -0.0105       -0.3630    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0246    0.0000        0.0596    0.0677      -33.8477  -31.6713
 2     -0.0667   -0.0677        0.0438    0.0324     -119.3313 -117.1521
 3     32.0096   31.6713      -82.1156  -79.3088        0.0598   -0.0324
 4     -0.0417   -0.0324        0.0366    0.0000       32.1476   31.6713
 5    197.8007  196.4609      -36.3068  -31.6713       -0.0256    0.0677
 6      0.0080    0.0324       -0.0609   -0.0677        0.8337    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0888   -0.0746       -0.0894   -0.0794       89.0953   93.4965
 2     -0.0832   -0.0922       -0.0836   -0.0732       91.4230   93.4965
 3     -0.1004   -0.0922       -0.0811   -0.0794      113.0128  114.8022
 4     -0.0156   -0.0062        0.0015    0.0176     -149.4725 -147.4366
 5     24.4630   21.3058     -150.4779 -151.2170        0.0160   -0.0176
 6    299.6319  298.6536      -24.2622  -21.3058       -0.1354    0.0062
 Full mass-weighted force constant matrix:
 Low frequencies ---   -3.7416   -1.2531   -0.0041   -0.0028    0.0006    1.8250
 Low frequencies ---    7.7818   13.3987   28.8642
 Diagonal vibrational polarizability:
       80.1589347      46.6817003     340.2740556
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --      7.7785                13.3975                28.8604
 Red. masses --      6.1932                 6.0322                11.8290
 Frc consts  --      0.0002                 0.0006                 0.0058
 IR Inten    --      0.6721                 0.1011                 0.0797
 RamAct Fr= 1--      0.1699                 0.0546                 0.0056
  Dep-P Fr= 1--      0.7447                 0.6579                 0.7500
  Dep-U Fr= 1--      0.8537                 0.7937                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0001                 0.0000
 Beta2  Fr= 1--      0.0242                 0.0072                 0.0008
 AlphaG Fr= 1--     -0.0016                -0.0027                 0.0000
 Gamma2 Fr= 1--     -1.4277                -0.4388                -0.0293
 Delta2 Fr= 1--     -0.9126                -0.0342                 0.0008
 Raman1 Fr= 1--       0.679                  0.218                  0.022
 ROA1   Fr= 1--    -166.264                -43.220                 -2.791
 CID1   Fr= 1--    -244.699               -197.953               -124.581
 Raman2 Fr= 1--       0.290                  0.087                  0.010
 ROA2   Fr= 1--     -26.965                -10.257                 -0.710
 CID2   Fr= 1--     -92.974               -118.386                -74.001
 Raman3 Fr= 1--       0.580                  0.173                  0.019
 ROA3   Fr= 1--    -166.264                -43.220                 -2.791
 CID3   Fr= 1--    -286.638               -249.418               -145.344
 RC180  Fr= 1--       0.707                  0.587                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.06  -0.06    -0.08   0.05  -0.09    -0.07   0.07  -0.01
     2   6     0.00  -0.00  -0.03     0.00   0.01  -0.08    -0.01   0.03  -0.02
     3   6     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.01   0.00   0.03
     4   6     0.00   0.00  -0.04     0.00  -0.00   0.06    -0.02  -0.01   0.07
     5   6     0.01   0.01  -0.10     0.01   0.00   0.02    -0.04   0.01   0.07
     6   6    -0.02  -0.05  -0.11    -0.08   0.04  -0.01    -0.08   0.06   0.05
     7   6     0.02   0.04  -0.08     0.06  -0.01  -0.06     0.01   0.00   0.01
     8   8     0.00   0.00  -0.04     0.00  -0.01   0.13    -0.03  -0.03   0.09
     9  29    -0.00  -0.00   0.02    -0.00   0.00   0.12    -0.01  -0.04   0.00
    10   8    -0.00  -0.01   0.08    -0.00  -0.00   0.09     0.01  -0.03   0.06
    11   6    -0.00  -0.01   0.06    -0.00   0.00   0.02     0.01  -0.01   0.05
    12   6    -0.01  -0.02   0.11    -0.01   0.01  -0.04     0.04   0.00   0.03
    13   9     0.02   0.04   0.12     0.08   0.00  -0.09     0.29   0.12  -0.07
    14   6     0.02   0.03  -0.16     0.03  -0.02   0.08    -0.04  -0.02   0.12
    15   6     0.02   0.05  -0.13     0.06  -0.01  -0.13    -0.00   0.02  -0.02
    16   6     0.04   0.10  -0.06     0.14  -0.05  -0.04     0.06  -0.04   0.01
    17   8    -0.00  -0.00  -0.04    -0.00   0.01   0.13    -0.03  -0.03  -0.09
    18   6    -0.00  -0.00  -0.04    -0.00   0.00   0.06    -0.02  -0.01  -0.07
    19   6    -0.01  -0.01  -0.10    -0.01  -0.00   0.02    -0.04   0.00  -0.07
    20   6    -0.02  -0.04  -0.08    -0.06   0.01  -0.06     0.00   0.00  -0.01
    21   6    -0.00   0.00  -0.03    -0.00  -0.01  -0.08    -0.01   0.03   0.02
    22   6    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.01   0.00  -0.03
    23   6     0.02   0.06  -0.06     0.08  -0.05  -0.09    -0.07   0.07   0.01
    24   6     0.02   0.05  -0.11     0.08  -0.04  -0.01    -0.08   0.06  -0.05
    25   6    -0.04  -0.10  -0.06    -0.14   0.05  -0.04     0.06  -0.04  -0.01
    26   6    -0.02  -0.05  -0.13    -0.06   0.01  -0.13    -0.00   0.02   0.02
    27   6    -0.02  -0.03  -0.16    -0.03   0.02   0.08    -0.04  -0.02  -0.12
    28   6     0.00   0.01   0.06     0.00  -0.00   0.02     0.01  -0.01  -0.05
    29   6     0.01   0.02   0.11     0.01  -0.01  -0.04     0.04   0.00  -0.03
    30   9    -0.02  -0.04   0.12    -0.08  -0.00  -0.09     0.29   0.12   0.08
    31   8     0.00   0.01   0.08     0.00   0.00   0.09     0.01  -0.03  -0.06
    32   9     0.02   0.07   0.09     0.08  -0.03  -0.11    -0.17  -0.02   0.16
    33   9     0.01   0.03   0.18     0.02  -0.01   0.01     0.03  -0.06  -0.29
    34   9    -0.01  -0.03   0.18    -0.02   0.01   0.01     0.03  -0.06   0.29
    35   9    -0.02  -0.07   0.09    -0.08   0.03  -0.11    -0.17  -0.02  -0.16
    36   1     0.02   0.06  -0.16     0.09  -0.04  -0.04    -0.09   0.07  -0.05
    37   1     0.03   0.09  -0.11     0.12  -0.05   0.04    -0.11   0.07  -0.08
    38   1     0.02   0.07  -0.09     0.09  -0.05  -0.15    -0.07   0.09   0.05
    39   1     0.03   0.10  -0.03     0.13  -0.06  -0.08    -0.09   0.08   0.01
    40   1    -0.01  -0.01   0.00    -0.02  -0.01  -0.14     0.01   0.03   0.06
    41   1    -0.04  -0.10  -0.02    -0.14   0.06   0.01     0.06  -0.06  -0.04
    42   1    -0.06  -0.13  -0.10    -0.18   0.07  -0.02     0.07  -0.06  -0.04
    43   1    -0.05  -0.12  -0.04    -0.17   0.06  -0.10     0.08  -0.04   0.03
    44   1    -0.01  -0.00  -0.15    -0.00  -0.01  -0.15    -0.04   0.05   0.03
    45   1    -0.03  -0.06  -0.11    -0.08   0.02  -0.19     0.02   0.03   0.06
    46   1    -0.03  -0.08  -0.17    -0.09   0.03  -0.11     0.01   0.01   0.01
    47   1    -0.01  -0.01  -0.17     0.01   0.00   0.13    -0.08  -0.02  -0.15
    48   1    -0.02  -0.03  -0.20    -0.03   0.01   0.04    -0.06  -0.00  -0.10
    49   1    -0.03  -0.08  -0.15    -0.09   0.04   0.10    -0.01  -0.05  -0.13
    50   1     0.06   0.13  -0.10     0.18  -0.07  -0.02     0.07  -0.06   0.04
    51   1     0.04   0.10  -0.02     0.14  -0.06   0.01     0.07  -0.06   0.04
    52   1     0.05   0.12  -0.04     0.17  -0.06  -0.10     0.08  -0.04  -0.03
    53   1     0.03   0.08  -0.17     0.09  -0.03  -0.11     0.01   0.01  -0.01
    54   1     0.03   0.06  -0.11     0.08  -0.02  -0.19     0.02   0.03  -0.06
    55   1     0.01   0.00  -0.15     0.00   0.01  -0.15    -0.04   0.05  -0.03
    56   1    -0.02  -0.07  -0.09    -0.09   0.05  -0.15    -0.07   0.09  -0.05
    57   1    -0.03  -0.10  -0.03    -0.13   0.06  -0.08    -0.09   0.09  -0.01
    58   1    -0.03  -0.09  -0.11    -0.12   0.06   0.04    -0.11   0.07   0.08
    59   1    -0.02  -0.06  -0.16    -0.09   0.04  -0.04    -0.10   0.07   0.05
    60   1     0.01   0.01   0.00     0.02   0.01  -0.14     0.01   0.03  -0.06
    61   1     0.02   0.03  -0.20     0.03  -0.01   0.04    -0.06  -0.00   0.10
    62   1     0.01   0.01  -0.17    -0.01  -0.00   0.13    -0.08  -0.02   0.15
    63   1     0.03   0.08  -0.15     0.09  -0.04   0.10    -0.01  -0.05   0.13
                      4                      5                      6
                      A                      A                      A
 Frequencies --     33.5900                40.2188                45.9201
 Red. masses --     13.4858                 6.6848                 5.0011
 Frc consts  --      0.0090                 0.0064                 0.0062
 IR Inten    --      0.2241                 0.6083                 0.1682
 RamAct Fr= 1--      0.0238                 0.0734                 0.0698
  Dep-P Fr= 1--      0.6859                 0.7500                 0.7500
  Dep-U Fr= 1--      0.8137                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0032                 0.0105                 0.0100
 AlphaG Fr= 1--     -0.0003                -0.0000                 0.0000
 Gamma2 Fr= 1--     -0.1824                 0.3253                -0.1465
 Delta2 Fr= 1--     -0.0075                -0.0054                -0.0696
 Raman1 Fr= 1--       0.095                  0.294                  0.279
 ROA1   Fr= 1--     -17.751                 31.057                -16.292
 CID1   Fr= 1--    -186.642                105.812                -58.382
 Raman2 Fr= 1--       0.039                  0.126                  0.120
 ROA2   Fr= 1--      -4.317                  7.850                 -2.960
 CID2   Fr= 1--    -111.565                 62.409                -24.751
 Raman3 Fr= 1--       0.077                  0.252                  0.239
 ROA3   Fr= 1--     -17.751                 31.057                -16.292
 CID3   Fr= 1--    -229.369                123.447                -68.112
 RC180  Fr= 1--       0.627                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.01   0.06     0.08  -0.10   0.05     0.04  -0.05   0.07
     2   6    -0.00  -0.02   0.05     0.00  -0.06   0.05    -0.00   0.01   0.08
     3   6    -0.00  -0.01  -0.00    -0.00   0.00  -0.00     0.00  -0.01   0.03
     4   6    -0.00  -0.01  -0.03     0.04   0.02  -0.04    -0.02  -0.01  -0.03
     5   6    -0.00  -0.01   0.02     0.08  -0.02  -0.02    -0.03   0.01  -0.05
     6   6     0.05  -0.01   0.05     0.13  -0.07   0.00     0.02  -0.06  -0.02
     7   6    -0.03  -0.02   0.06     0.01  -0.05   0.03    -0.05   0.05   0.04
     8   8    -0.00  -0.00  -0.07     0.05   0.07  -0.07    -0.02  -0.03  -0.07
     9  29    -0.00  -0.00  -0.08     0.01   0.09  -0.00    -0.00  -0.05   0.00
    10   8     0.00  -0.01  -0.06    -0.03   0.07  -0.05     0.02  -0.04  -0.03
    11   6    -0.00  -0.01  -0.01    -0.03   0.03  -0.02     0.02  -0.02  -0.00
    12   6     0.02  -0.00   0.00    -0.08   0.00  -0.02     0.05   0.00  -0.05
    13   9     0.29   0.14  -0.11     0.00   0.02  -0.06     0.10  -0.01  -0.09
    14   6    -0.02  -0.01   0.02     0.11   0.00  -0.06    -0.07   0.03  -0.13
    15   6    -0.03  -0.03   0.11     0.03  -0.10   0.08    -0.07   0.08   0.06
    16   6    -0.09  -0.02   0.04    -0.06  -0.01   0.02    -0.11   0.12   0.04
    17   8     0.00  -0.00  -0.07     0.05   0.07   0.07    -0.02  -0.03   0.07
    18   6     0.00   0.01  -0.03     0.04   0.02   0.04    -0.02  -0.01   0.03
    19   6     0.00   0.01   0.02     0.08  -0.02   0.02    -0.03   0.01   0.05
    20   6     0.03   0.02   0.06     0.01  -0.05  -0.03    -0.05   0.05  -0.04
    21   6     0.00   0.02   0.05     0.00  -0.06  -0.05    -0.00   0.01  -0.08
    22   6     0.00   0.01  -0.00    -0.00   0.00   0.00     0.00  -0.01  -0.03
    23   6    -0.05   0.01   0.06     0.08  -0.10  -0.05     0.04  -0.05  -0.07
    24   6    -0.05   0.01   0.04     0.13  -0.07  -0.00     0.02  -0.06   0.02
    25   6     0.09   0.02   0.04    -0.06  -0.01  -0.02    -0.11   0.12  -0.04
    26   6     0.03   0.03   0.11     0.03  -0.10  -0.08    -0.07   0.08  -0.06
    27   6     0.02   0.01   0.02     0.11   0.00   0.06    -0.07   0.03   0.13
    28   6     0.00   0.01  -0.01    -0.03   0.03   0.02     0.02  -0.02   0.00
    29   6    -0.01   0.00  -0.00    -0.08   0.00   0.02     0.05   0.00   0.05
    30   9    -0.28  -0.14  -0.11    -0.00   0.02   0.06     0.10  -0.01   0.09
    31   8     0.00   0.00  -0.06    -0.03   0.07   0.05     0.02  -0.04   0.03
    32   9     0.21   0.06  -0.21    -0.15  -0.05   0.09     0.01   0.06   0.09
    33   9     0.01   0.07   0.30    -0.12   0.02  -0.08     0.07  -0.02   0.05
    34   9    -0.01  -0.07   0.30    -0.12   0.02   0.08     0.07  -0.02  -0.05
    35   9    -0.21  -0.06  -0.21    -0.16  -0.05  -0.09     0.01   0.06  -0.09
    36   1    -0.06   0.01   0.08     0.16  -0.10  -0.02     0.01  -0.05   0.04
    37   1    -0.08  -0.00   0.02     0.17  -0.05   0.03     0.04  -0.10   0.06
    38   1    -0.05   0.02   0.10     0.09  -0.14  -0.09     0.05  -0.04  -0.11
    39   1    -0.07   0.01   0.04     0.09  -0.09  -0.04     0.09  -0.10  -0.07
    40   1     0.02   0.02   0.06    -0.04  -0.08  -0.08    -0.00   0.02  -0.14
    41   1     0.09   0.01   0.00    -0.07   0.03   0.01    -0.10   0.10  -0.02
    42   1     0.10   0.03   0.04    -0.05   0.00  -0.01    -0.15   0.15   0.01
    43   1     0.11   0.03   0.06    -0.10  -0.03  -0.06    -0.11   0.15  -0.10
    44   1    -0.01   0.03   0.13     0.08  -0.13  -0.09    -0.03   0.04  -0.06
    45   1     0.05   0.03   0.14    -0.01  -0.13  -0.12    -0.07   0.11  -0.12
    46   1     0.06   0.03   0.11     0.04  -0.09  -0.07    -0.10   0.11  -0.03
    47   1    -0.01   0.01  -0.01     0.16   0.03   0.10    -0.05  -0.01   0.18
    48   1     0.01   0.02   0.05     0.14  -0.04   0.03    -0.08   0.05   0.13
    49   1     0.05   0.02  -0.00     0.07   0.04   0.07    -0.11   0.08   0.14
    50   1    -0.10  -0.03   0.04    -0.05   0.00   0.01    -0.15   0.15  -0.01
    51   1    -0.09  -0.01   0.00    -0.07   0.03  -0.01    -0.10   0.10   0.02
    52   1    -0.11  -0.03   0.06    -0.10  -0.03   0.06    -0.11   0.15   0.10
    53   1    -0.06  -0.03   0.11     0.04  -0.09   0.07    -0.10   0.11   0.03
    54   1    -0.05  -0.03   0.14    -0.01  -0.13   0.12    -0.07   0.11   0.12
    55   1     0.00  -0.03   0.13     0.08  -0.13   0.09    -0.03   0.04   0.06
    56   1     0.05  -0.02   0.10     0.09  -0.14   0.09     0.05  -0.04   0.11
    57   1     0.07  -0.00   0.04     0.09  -0.10   0.04     0.09  -0.10   0.07
    58   1     0.08   0.00   0.02     0.17  -0.05  -0.03     0.04  -0.10  -0.06
    59   1     0.06  -0.01   0.08     0.16  -0.10   0.02     0.01  -0.05  -0.04
    60   1    -0.02  -0.02   0.06    -0.04  -0.08   0.08    -0.00   0.02   0.14
    61   1    -0.02  -0.02   0.05     0.14  -0.04  -0.03    -0.08   0.05  -0.13
    62   1     0.01  -0.01  -0.01     0.16   0.03  -0.10    -0.05  -0.01  -0.18
    63   1    -0.06  -0.02   0.00     0.07   0.04  -0.07    -0.11   0.08  -0.14
                      7                      8                      9
                      A                      A                      A
 Frequencies --     51.4995                61.7855                94.3952
 Red. masses --      4.9455                 5.2323                 7.2933
 Frc consts  --      0.0077                 0.0118                 0.0383
 IR Inten    --      0.3302                 0.0877                 0.0150
 RamAct Fr= 1--      0.0023                 0.5147                 1.7704
  Dep-P Fr= 1--      0.3399                 0.7500                 0.3112
  Dep-U Fr= 1--      0.5074                 0.8571                 0.4746
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0176
 Beta2  Fr= 1--      0.0002                 0.0735                 0.1401
 AlphaG Fr= 1--      0.0006                 0.0000                 0.0847
 Gamma2 Fr= 1--      0.0356                 0.3844                 0.0407
 Delta2 Fr= 1--      0.0220                 0.0441                -0.6400
 Raman1 Fr= 1--       0.009                  2.059                  7.082
 ROA1   Fr= 1--       4.120                 38.315                -16.574
 CID1   Fr= 1--     445.240                 18.612                 -2.340
 Raman2 Fr= 1--       0.002                  0.882                  1.681
 ROA2   Fr= 1--       0.679                  8.873                  6.096
 CID2   Fr= 1--     289.108                 10.056                  3.627
 Raman3 Fr= 1--       0.005                  1.765                  3.361
 ROA3   Fr= 1--       4.120                 38.315                -16.574
 CID3   Fr= 1--     877.573                 21.714                 -4.931
 RC180  Fr= 1--       0.015                  0.714                 -0.051
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.11  -0.07    -0.07  -0.09   0.03    -0.01  -0.09   0.02
     2   6    -0.00   0.02  -0.11    -0.00  -0.02   0.08     0.03  -0.05   0.05
     3   6     0.00   0.02  -0.11    -0.00  -0.02   0.15     0.03  -0.03   0.08
     4   6    -0.00   0.01  -0.04     0.00  -0.01   0.12     0.04  -0.03   0.06
     5   6    -0.01   0.00   0.03     0.01  -0.01   0.03     0.06  -0.04   0.04
     6   6    -0.01   0.10   0.03    -0.06  -0.08  -0.00     0.01  -0.08   0.01
     7   6     0.00  -0.04  -0.04     0.05   0.02   0.02     0.08  -0.03   0.01
     8   8    -0.00  -0.00  -0.01     0.01   0.00   0.10     0.03  -0.02   0.02
     9  29     0.00   0.00  -0.05    -0.00   0.02  -0.00    -0.00  -0.00  -0.09
    10   8     0.00   0.00  -0.04    -0.01   0.01   0.08     0.03  -0.02  -0.11
    11   6     0.00   0.01  -0.05    -0.01  -0.00   0.10     0.03  -0.02  -0.01
    12   6     0.01  -0.00   0.05    -0.03  -0.00  -0.00     0.11   0.01   0.01
    13   9    -0.04   0.07   0.10    -0.01  -0.09  -0.05     0.11   0.06   0.03
    14   6    -0.01  -0.04   0.13     0.05   0.02  -0.02     0.11  -0.03   0.03
    15   6    -0.00  -0.04  -0.00     0.06   0.03  -0.09     0.10  -0.05  -0.07
    16   6     0.01  -0.14  -0.06     0.13   0.10   0.06     0.16  -0.01   0.04
    17   8     0.00   0.00  -0.01     0.01   0.00  -0.10    -0.03   0.02   0.02
    18   6     0.00  -0.01  -0.04     0.00  -0.01  -0.12    -0.04   0.03   0.06
    19   6     0.01  -0.00   0.03     0.01  -0.01  -0.03    -0.06   0.04   0.04
    20   6    -0.00   0.04  -0.04     0.05   0.02  -0.02    -0.08   0.03   0.01
    21   6     0.00  -0.02  -0.11    -0.00  -0.02  -0.08    -0.03   0.05   0.05
    22   6    -0.00  -0.02  -0.11    -0.00  -0.02  -0.15    -0.03   0.03   0.08
    23   6     0.02  -0.11  -0.07    -0.07  -0.09  -0.03     0.01   0.09   0.02
    24   6     0.01  -0.10   0.03    -0.06  -0.08   0.00    -0.01   0.08   0.01
    25   6    -0.01   0.14  -0.06     0.13   0.10  -0.06    -0.16   0.01   0.04
    26   6     0.00   0.04  -0.00     0.06   0.03   0.09    -0.10   0.05  -0.07
    27   6     0.01   0.04   0.13     0.05   0.02   0.02    -0.11   0.03   0.03
    28   6    -0.00  -0.01  -0.05    -0.01  -0.00  -0.10    -0.03   0.02  -0.01
    29   6    -0.01   0.00   0.05    -0.03  -0.00   0.00    -0.11  -0.01   0.01
    30   9     0.04  -0.07   0.10    -0.01  -0.09   0.05    -0.11  -0.06   0.03
    31   8    -0.00  -0.00  -0.04    -0.01   0.01  -0.08    -0.03   0.02  -0.11
    32   9    -0.04   0.08   0.08    -0.05   0.06   0.02    -0.13  -0.07   0.03
    33   9    -0.01   0.02   0.09    -0.05   0.03   0.06    -0.18   0.05  -0.01
    34   9     0.01  -0.02   0.09    -0.05   0.03  -0.06     0.18  -0.05  -0.01
    35   9     0.04  -0.08   0.08    -0.05   0.06  -0.02     0.13   0.07   0.03
    36   1     0.01  -0.11   0.08    -0.07  -0.08   0.08    -0.01   0.08  -0.03
    37   1     0.01  -0.16   0.04    -0.10  -0.12  -0.03     0.02   0.08   0.04
    38   1     0.02  -0.12  -0.08    -0.07  -0.09   0.02     0.02   0.10  -0.02
    39   1     0.03  -0.17  -0.10    -0.11  -0.13  -0.08     0.05   0.10   0.05
    40   1    -0.01  -0.01  -0.17     0.00  -0.02  -0.10    -0.03   0.05   0.05
    41   1    -0.01   0.14  -0.08     0.14   0.09  -0.13    -0.16   0.01   0.09
    42   1    -0.02   0.19   0.01     0.16   0.13  -0.01    -0.19  -0.01   0.02
    43   1    -0.01   0.18  -0.12     0.16   0.12  -0.07    -0.18  -0.00   0.02
    44   1     0.00  -0.01   0.01     0.00  -0.02   0.13    -0.05   0.06  -0.10
    45   1    -0.00   0.07  -0.05     0.08   0.04   0.10    -0.11   0.07  -0.12
    46   1    -0.00   0.09   0.05     0.10   0.06   0.13    -0.16   0.05  -0.07
    47   1     0.02  -0.00   0.17     0.01  -0.01   0.00    -0.08   0.02   0.06
    48   1     0.02   0.04   0.17     0.05   0.02   0.10    -0.12   0.04  -0.03
    49   1     0.01   0.12   0.13     0.11   0.07  -0.01    -0.16   0.00   0.05
    50   1     0.02  -0.19   0.01     0.16   0.13   0.01     0.19   0.01   0.02
    51   1     0.01  -0.14  -0.08     0.14   0.09   0.13     0.16  -0.01   0.09
    52   1     0.01  -0.18  -0.12     0.16   0.12   0.07     0.18   0.00   0.02
    53   1     0.00  -0.09   0.05     0.10   0.06  -0.13     0.16  -0.06  -0.07
    54   1     0.00  -0.07  -0.05     0.08   0.04  -0.10     0.11  -0.07  -0.11
    55   1    -0.00   0.01   0.01     0.00  -0.02  -0.13     0.05  -0.06  -0.10
    56   1    -0.02   0.12  -0.08    -0.07  -0.09  -0.02    -0.01  -0.10  -0.02
    57   1    -0.03   0.17  -0.10    -0.11  -0.13   0.08    -0.05  -0.10   0.05
    58   1    -0.01   0.16   0.04    -0.10  -0.12   0.03    -0.02  -0.08   0.04
    59   1    -0.01   0.11   0.08    -0.07  -0.08  -0.08     0.01  -0.08  -0.03
    60   1     0.01   0.01  -0.17     0.00  -0.02   0.10     0.03  -0.05   0.05
    61   1    -0.02  -0.04   0.17     0.05   0.02  -0.10     0.12  -0.04  -0.03
    62   1    -0.02   0.00   0.17     0.02  -0.01  -0.00     0.08  -0.02   0.06
    63   1    -0.01  -0.12   0.12     0.11   0.07   0.01     0.16  -0.00   0.05
                     10                     11                     12
                      A                      A                      A
 Frequencies --     99.8562               112.6740               116.2184
 Red. masses --      5.9577                10.1621                 6.5481
 Frc consts  --      0.0350                 0.0760                 0.0521
 IR Inten    --      0.0130                 0.4153                 0.0022
 RamAct Fr= 1--      0.6995                 2.8746                 2.7286
  Dep-P Fr= 1--      0.3508                 0.7500                 0.5993
  Dep-U Fr= 1--      0.5194                 0.8571                 0.7495
 Alpha2 Fr= 1--      0.0061                 0.0000                 0.0076
 Beta2  Fr= 1--      0.0606                 0.4107                 0.3408
 AlphaG Fr= 1--     -0.0598                 0.0000                 0.0307
 Gamma2 Fr= 1--     -2.0248                 3.7792                 1.8585
 Delta2 Fr= 1--     -0.1394                 1.4935                -0.0227
 Raman1 Fr= 1--       2.798                 11.498                 10.914
 ROA1   Fr= 1--    -198.840                410.595                177.691
 CID1   Fr= 1--     -71.062                 35.709                 16.280
 Raman2 Fr= 1--       0.727                  4.928                  4.090
 ROA2   Fr= 1--     -47.480                 78.752                 44.786
 CID2   Fr= 1--     -65.339                 15.981                 10.950
 Raman3 Fr= 1--       1.453                  9.856                  8.180
 ROA3   Fr= 1--    -198.840                410.595                177.691
 CID3   Fr= 1--    -136.816                 41.661                 21.722
 RC180  Fr= 1--       0.039                  0.714                  0.499
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.12  -0.00  -0.02     0.06   0.10  -0.03    -0.07  -0.02  -0.02
     2   6     0.03  -0.02  -0.06     0.04   0.04  -0.06    -0.04  -0.03  -0.02
     3   6     0.03   0.02  -0.10     0.04   0.01  -0.05    -0.04  -0.08  -0.01
     4   6     0.04   0.02  -0.08     0.02   0.01  -0.07    -0.06  -0.09  -0.01
     5   6     0.06  -0.00  -0.06     0.00   0.02  -0.02    -0.10  -0.06  -0.01
     6   6     0.14   0.01  -0.03     0.06   0.09   0.01    -0.11  -0.04  -0.02
     7   6     0.00  -0.04  -0.02    -0.01   0.02  -0.01    -0.08  -0.03  -0.01
     8   8     0.04   0.01  -0.04     0.02   0.00  -0.13    -0.05  -0.08  -0.00
     9  29     0.00   0.00   0.11     0.03  -0.01   0.00    -0.00   0.00   0.04
    10   8     0.02  -0.01   0.15     0.03  -0.03   0.40    -0.01  -0.11   0.04
    11   6     0.02   0.01   0.02     0.04  -0.02   0.15    -0.02  -0.10   0.01
    12   6     0.06   0.03  -0.00    -0.02  -0.03   0.02     0.06  -0.07  -0.00
    13   9     0.07   0.03  -0.01     0.01  -0.19  -0.05     0.08  -0.05  -0.00
    14   6     0.09   0.00  -0.06    -0.06  -0.01   0.02    -0.18  -0.08  -0.02
    15   6     0.02  -0.09   0.08    -0.02   0.04   0.06    -0.10   0.02  -0.00
    16   6    -0.09  -0.07  -0.05    -0.05  -0.04  -0.04    -0.08  -0.05  -0.02
    17   8    -0.04  -0.01  -0.04     0.02   0.00   0.13     0.05   0.08  -0.00
    18   6    -0.04  -0.02  -0.08     0.03   0.01   0.07     0.05   0.09  -0.01
    19   6    -0.06   0.00  -0.06     0.01   0.02   0.02     0.10   0.06  -0.01
    20   6    -0.00   0.04  -0.02    -0.01   0.02   0.01     0.08   0.03  -0.01
    21   6    -0.03   0.02  -0.06     0.04   0.04   0.06     0.04   0.03  -0.02
    22   6    -0.03  -0.02  -0.10     0.04   0.01   0.05     0.04   0.08  -0.01
    23   6    -0.12   0.00  -0.02     0.06   0.10   0.03     0.07   0.02  -0.02
    24   6    -0.14  -0.01  -0.03     0.06   0.09  -0.01     0.11   0.04  -0.02
    25   6     0.09   0.07  -0.05    -0.05  -0.04   0.04     0.08   0.05  -0.02
    26   6    -0.02   0.09   0.08    -0.02   0.04  -0.06     0.10  -0.03  -0.00
    27   6    -0.09  -0.00  -0.06    -0.05  -0.00  -0.02     0.18   0.08  -0.01
    28   6    -0.02  -0.01   0.02     0.04  -0.02  -0.15     0.01   0.10   0.01
    29   6    -0.06  -0.03  -0.00    -0.02  -0.03  -0.02    -0.06   0.07  -0.00
    30   9    -0.07  -0.03  -0.00     0.01  -0.19   0.05    -0.08   0.06  -0.01
    31   8    -0.02   0.01   0.15     0.03  -0.03  -0.39     0.01   0.11   0.04
    32   9    -0.06  -0.08   0.00    -0.07   0.02   0.02    -0.06   0.00   0.01
    33   9    -0.09  -0.00  -0.02    -0.09   0.05   0.03    -0.12   0.13  -0.02
    34   9     0.09   0.00  -0.02    -0.09   0.04  -0.03     0.13  -0.13  -0.03
    35   9     0.06   0.08   0.00    -0.07   0.02  -0.02     0.07   0.01   0.01
    36   1    -0.16   0.01   0.03     0.06   0.09  -0.07     0.14   0.02  -0.03
    37   1    -0.18  -0.04  -0.07     0.09   0.13   0.01     0.12   0.07  -0.01
    38   1    -0.12   0.03   0.04     0.06   0.10   0.00     0.07  -0.01  -0.02
    39   1    -0.15  -0.02  -0.05     0.08   0.13   0.05     0.05   0.03  -0.01
    40   1     0.00   0.03  -0.04     0.06   0.05   0.08     0.01   0.01  -0.02
    41   1     0.11   0.03  -0.12    -0.06  -0.01   0.08     0.06   0.09  -0.03
    42   1     0.08   0.09  -0.03    -0.04  -0.07  -0.00     0.11   0.06  -0.01
    43   1     0.14   0.11  -0.04    -0.08  -0.07   0.06     0.06   0.03  -0.02
    44   1    -0.08   0.08   0.11     0.03   0.03  -0.08     0.11  -0.03  -0.00
    45   1     0.03   0.13   0.10    -0.03   0.05  -0.11     0.08  -0.07   0.02
    46   1    -0.01   0.11   0.11    -0.07   0.05  -0.05     0.15  -0.04  -0.02
    47   1    -0.16  -0.05  -0.10    -0.04   0.00  -0.01     0.22   0.13  -0.02
    48   1    -0.12   0.04   0.00    -0.07   0.02  -0.09     0.23   0.02  -0.01
    49   1    -0.02  -0.01  -0.09    -0.09  -0.06  -0.00     0.18   0.11  -0.02
    50   1    -0.08  -0.09  -0.03    -0.04  -0.07   0.00    -0.11  -0.06  -0.01
    51   1    -0.11  -0.03  -0.12    -0.06  -0.01  -0.08    -0.07  -0.08  -0.03
    52   1    -0.14  -0.11  -0.04    -0.08  -0.07  -0.06    -0.06  -0.04  -0.02
    53   1     0.00  -0.11   0.11    -0.08   0.05   0.05    -0.15   0.04  -0.02
    54   1    -0.03  -0.13   0.10    -0.03   0.06   0.11    -0.08   0.06   0.02
    55   1     0.08  -0.08   0.11     0.03   0.03   0.08    -0.11   0.02  -0.01
    56   1     0.12  -0.02   0.04     0.06   0.10  -0.01    -0.07   0.01  -0.02
    57   1     0.15   0.02  -0.05     0.07   0.13  -0.05    -0.06  -0.04  -0.01
    58   1     0.18   0.04  -0.07     0.08   0.13  -0.01    -0.13  -0.07  -0.01
    59   1     0.16  -0.01   0.03     0.06   0.09   0.07    -0.14  -0.02  -0.03
    60   1    -0.00  -0.03  -0.04     0.06   0.05  -0.08    -0.02  -0.02  -0.02
    61   1     0.12  -0.04   0.00    -0.07   0.02   0.09    -0.22  -0.02  -0.01
    62   1     0.16   0.05  -0.10    -0.04  -0.00   0.01    -0.21  -0.13  -0.02
    63   1     0.02   0.01  -0.09    -0.10  -0.06   0.00    -0.18  -0.11  -0.02
                     13                     14                     15
                      A                      A                      A
 Frequencies --    116.9284               133.5955               141.3717
 Red. masses --      6.5524                 8.1077                 4.9082
 Frc consts  --      0.0528                 0.0853                 0.0578
 IR Inten    --      1.1688                 0.0025                 0.0632
 RamAct Fr= 1--      0.6596                 0.6642                 3.0063
  Dep-P Fr= 1--      0.7496                 0.1840                 0.1616
  Dep-U Fr= 1--      0.8569                 0.3109                 0.2782
 Alpha2 Fr= 1--      0.0000                 0.0094                 0.0451
 Beta2  Fr= 1--      0.0942                 0.0344                 0.1394
 AlphaG Fr= 1--      0.0000                -0.1055                 0.2070
 Gamma2 Fr= 1--      0.2080                -1.6216                 0.5656
 Delta2 Fr= 1--      0.1947                -0.7794                -0.5853
 Raman1 Fr= 1--       2.638                  2.657                 12.025
 ROA1   Fr= 1--      26.198               -180.611                 35.565
 CID1   Fr= 1--       9.930                -67.977                  2.958
 Raman2 Fr= 1--       1.130                  0.413                  1.673
 ROA2   Fr= 1--       3.435                -32.683                 18.256
 CID2   Fr= 1--       3.039                -79.140                 10.914
 Raman3 Fr= 1--       2.261                  0.826                  3.346
 ROA3   Fr= 1--      26.198               -180.611                 35.565
 CID3   Fr= 1--      11.589               -218.673                 10.631
 RC180  Fr= 1--       0.714                 -0.378                 -0.444
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.07  -0.02    -0.07  -0.07  -0.01    -0.13  -0.03  -0.02
     2   6    -0.07  -0.05  -0.02    -0.10  -0.03  -0.00    -0.08  -0.01   0.00
     3   6    -0.07   0.01  -0.00    -0.09   0.03  -0.02    -0.08   0.02   0.05
     4   6    -0.03   0.03  -0.01    -0.06   0.04   0.04    -0.05   0.04  -0.01
     5   6     0.02  -0.02  -0.01    -0.03   0.00  -0.03    -0.02   0.01   0.02
     6   6     0.02  -0.04  -0.01    -0.05  -0.06  -0.04    -0.04   0.01   0.01
     7   6    -0.03  -0.07  -0.01    -0.07  -0.03  -0.01    -0.04  -0.02  -0.01
     8   8    -0.03   0.05  -0.04    -0.05   0.04   0.21    -0.04   0.06  -0.12
     9  29    -0.03   0.02  -0.00    -0.00  -0.00   0.09    -0.00   0.00  -0.07
    10   8    -0.06  -0.03   0.13    -0.07   0.01  -0.20    -0.06  -0.02   0.11
    11   6    -0.06   0.01   0.06    -0.08   0.03  -0.10    -0.07   0.01   0.08
    12   6     0.04   0.06   0.02    -0.03   0.06  -0.03    -0.03   0.05   0.03
    13   9     0.06   0.08   0.01    -0.06   0.18   0.03    -0.00   0.02   0.01
    14   6     0.10  -0.00  -0.01     0.05   0.04  -0.08     0.02   0.01   0.05
    15   6     0.01  -0.17  -0.01    -0.05  -0.10   0.01    -0.00  -0.11  -0.03
    16   6    -0.05  -0.07  -0.02    -0.13   0.01  -0.02    -0.04   0.00   0.00
    17   8    -0.03   0.05   0.04     0.05  -0.04   0.21     0.04  -0.06  -0.12
    18   6    -0.03   0.02   0.01     0.06  -0.04   0.05     0.04  -0.04  -0.01
    19   6     0.01  -0.02   0.01     0.03  -0.00  -0.03     0.02  -0.01   0.01
    20   6    -0.03  -0.07   0.02     0.07   0.03  -0.01     0.04   0.02  -0.01
    21   6    -0.07  -0.05   0.02     0.10   0.03  -0.00     0.08   0.01   0.00
    22   6    -0.07   0.01   0.00     0.09  -0.03  -0.02     0.08  -0.02   0.05
    23   6    -0.06  -0.07   0.02     0.07   0.07  -0.01     0.13   0.03  -0.02
    24   6     0.01  -0.04   0.01     0.05   0.06  -0.04     0.04  -0.01   0.01
    25   6    -0.06  -0.07   0.02     0.13  -0.01  -0.02     0.04  -0.00   0.00
    26   6     0.01  -0.17   0.01     0.05   0.10   0.01     0.00   0.11  -0.03
    27   6     0.09  -0.00   0.01    -0.05  -0.04  -0.08    -0.02  -0.01   0.05
    28   6    -0.06   0.00  -0.06     0.08  -0.03  -0.11     0.07  -0.01   0.08
    29   6     0.04   0.06  -0.02     0.03  -0.06  -0.03     0.03  -0.05   0.03
    30   9     0.07   0.08  -0.01     0.06  -0.18   0.03     0.00  -0.02   0.01
    31   8    -0.06  -0.04  -0.13     0.07  -0.01  -0.20     0.06   0.02   0.11
    32   9     0.05   0.20  -0.03    -0.00  -0.03   0.00     0.04  -0.14   0.02
    33   9     0.14  -0.01   0.03    -0.03  -0.00   0.01    -0.01  -0.03  -0.01
    34   9     0.13  -0.01  -0.03     0.03   0.00   0.01     0.01   0.03  -0.01
    35   9     0.04   0.20   0.03     0.00   0.03   0.00    -0.04   0.14   0.02
    36   1     0.06  -0.08   0.00     0.04   0.07  -0.08    -0.02   0.04   0.03
    37   1     0.03   0.00   0.01     0.06   0.08  -0.03     0.03  -0.09   0.02
    38   1    -0.06  -0.13   0.04     0.06   0.08   0.00     0.14   0.09  -0.10
    39   1    -0.10  -0.06   0.01     0.06   0.08   0.00     0.22   0.01   0.01
    40   1    -0.10  -0.07   0.02     0.13   0.04   0.02     0.09   0.02  -0.02
    41   1    -0.10   0.03   0.02     0.14  -0.03  -0.04     0.11  -0.19   0.03
    42   1     0.04  -0.09  -0.00     0.13  -0.02  -0.03    -0.15   0.03   0.03
    43   1    -0.13  -0.15   0.05     0.16   0.01   0.02     0.16   0.14  -0.06
    44   1     0.04  -0.20   0.01     0.04   0.08   0.02    -0.05   0.26  -0.06
    45   1    -0.05  -0.22   0.00     0.08   0.15  -0.02     0.07   0.12   0.08
    46   1     0.07  -0.17   0.01     0.00   0.12   0.04    -0.05   0.03  -0.13
    47   1     0.12   0.05   0.00    -0.09  -0.07  -0.10    -0.01  -0.03   0.08
    48   1     0.13  -0.06   0.01    -0.10   0.01  -0.11    -0.03   0.01   0.04
    49   1     0.09   0.02   0.01    -0.05  -0.12  -0.08    -0.05   0.01   0.06
    50   1     0.04  -0.09   0.00    -0.13   0.02  -0.03     0.15  -0.03   0.03
    51   1    -0.10   0.04  -0.02    -0.14   0.03  -0.04    -0.11   0.19   0.03
    52   1    -0.13  -0.15  -0.05    -0.16  -0.01   0.02    -0.16  -0.14  -0.06
    53   1     0.08  -0.17  -0.01    -0.00  -0.12   0.04     0.05  -0.03  -0.13
    54   1    -0.05  -0.22  -0.00    -0.08  -0.15  -0.02    -0.07  -0.12   0.07
    55   1     0.04  -0.20  -0.01    -0.04  -0.08   0.02     0.05  -0.26  -0.06
    56   1    -0.05  -0.13  -0.04    -0.06  -0.08   0.00    -0.14  -0.09  -0.10
    57   1    -0.10  -0.06  -0.01    -0.06  -0.08   0.00    -0.22  -0.01   0.01
    58   1     0.03   0.01  -0.01    -0.06  -0.08  -0.03    -0.03   0.08   0.02
    59   1     0.06  -0.08  -0.00    -0.04  -0.07  -0.08     0.02  -0.04   0.03
    60   1    -0.10  -0.07  -0.02    -0.13  -0.04   0.02    -0.09  -0.02  -0.02
    61   1     0.14  -0.06  -0.01     0.10  -0.01  -0.11     0.03  -0.01   0.04
    62   1     0.13   0.05  -0.00     0.09   0.07  -0.10     0.01   0.03   0.08
    63   1     0.10   0.02  -0.01     0.05   0.12  -0.08     0.05  -0.01   0.06
                     16                     17                     18
                      A                      A                      A
 Frequencies --    161.8765               169.1022               172.5382
 Red. masses --      1.7760                 1.1822                 2.0303
 Frc consts  --      0.0274                 0.0199                 0.0356
 IR Inten    --      0.2515                 0.1299                 0.1993
 RamAct Fr= 1--      0.5922                 0.4994                 0.4861
  Dep-P Fr= 1--      0.7500                 0.0425                 0.7500
  Dep-U Fr= 1--      0.8571                 0.0815                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0100                 0.0000
 Beta2  Fr= 1--      0.0846                 0.0068                 0.0694
 AlphaG Fr= 1--      0.0000                 0.0118                -0.0000
 Gamma2 Fr= 1--      0.4813                 0.2874                 1.3383
 Delta2 Fr= 1--     -0.2447                 0.1416                 0.1002
 Raman1 Fr= 1--       2.369                  1.997                  1.945
 ROA1   Fr= 1--      38.378                 32.122                131.684
 CID1   Fr= 1--      16.201                 16.081                 67.719
 Raman2 Fr= 1--       1.015                  0.081                  0.833
 ROA2   Fr= 1--      13.509                  5.765                 31.318
 CID2   Fr= 1--      13.307                 70.872                 37.581
 Raman3 Fr= 1--       2.030                  0.163                  1.667
 ROA3   Fr= 1--      38.378                 32.122                131.684
 CID3   Fr= 1--      18.902                197.435                 79.008
 RC180  Fr= 1--       0.714                 -0.837                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.00   0.01    -0.01   0.00  -0.01    -0.00   0.01  -0.03
     2   6     0.01   0.00  -0.02     0.01   0.00  -0.00     0.00   0.01  -0.02
     3   6     0.00   0.01  -0.03     0.01  -0.00   0.00     0.00   0.01  -0.02
     4   6    -0.00   0.00   0.02     0.01  -0.01  -0.00     0.00   0.00   0.03
     5   6    -0.00  -0.00  -0.02     0.01   0.00  -0.00     0.01   0.01  -0.02
     6   6    -0.01  -0.02  -0.02     0.03   0.02   0.01     0.01   0.01  -0.02
     7   6    -0.01  -0.01  -0.00     0.01   0.01  -0.00    -0.01   0.00  -0.01
     8   8    -0.01  -0.01   0.11     0.01  -0.01   0.02    -0.00  -0.01   0.15
     9  29    -0.00  -0.00   0.00    -0.00   0.00   0.02     0.01  -0.01   0.00
    10   8     0.00   0.00   0.04     0.01   0.00  -0.03     0.01  -0.00   0.01
    11   6     0.00   0.01  -0.00     0.01  -0.00  -0.01     0.01   0.00  -0.00
    12   6    -0.00   0.01  -0.00     0.01  -0.01  -0.01     0.00  -0.00  -0.00
    13   9    -0.00   0.01  -0.00     0.00  -0.01  -0.00    -0.00  -0.01  -0.00
    14   6     0.03   0.02  -0.05    -0.01  -0.01   0.01     0.02   0.02  -0.04
    15   6    -0.02   0.01   0.03     0.01   0.00   0.01    -0.01  -0.01   0.04
    16   6    -0.03  -0.04  -0.02    -0.01   0.03  -0.00    -0.07   0.01  -0.02
    17   8    -0.01  -0.01  -0.11    -0.01   0.01   0.02    -0.00  -0.01  -0.15
    18   6    -0.00   0.00  -0.02    -0.01   0.01  -0.00     0.00   0.00  -0.03
    19   6    -0.00  -0.00   0.01    -0.01  -0.00  -0.00     0.01   0.01   0.02
    20   6    -0.01  -0.01   0.00    -0.01  -0.01  -0.00    -0.01   0.00   0.01
    21   6     0.01   0.00   0.02    -0.01  -0.00  -0.00     0.00   0.01   0.02
    22   6     0.00   0.01   0.03    -0.01   0.00   0.00     0.00   0.01   0.02
    23   6     0.05   0.00  -0.01     0.01  -0.00  -0.01    -0.00   0.01   0.03
    24   6    -0.01  -0.02   0.02    -0.03  -0.02   0.01     0.01   0.01   0.02
    25   6    -0.03  -0.04   0.02     0.01  -0.03  -0.00    -0.07   0.01   0.02
    26   6    -0.02   0.01  -0.03    -0.01  -0.00   0.01    -0.01  -0.01  -0.04
    27   6     0.03   0.02   0.05     0.01   0.01   0.01     0.02   0.02   0.04
    28   6     0.00   0.01   0.00    -0.01   0.00  -0.01     0.01   0.00   0.00
    29   6    -0.00   0.01   0.00    -0.01   0.01  -0.01     0.00  -0.00   0.00
    30   9    -0.00   0.01   0.00    -0.00   0.01  -0.00    -0.00  -0.01   0.00
    31   8     0.00   0.00  -0.04    -0.01  -0.00  -0.03     0.01  -0.00  -0.01
    32   9    -0.00   0.00   0.00    -0.01   0.03  -0.00     0.00  -0.02   0.00
    33   9    -0.00   0.01  -0.00    -0.00   0.01  -0.00    -0.01   0.01  -0.00
    34   9    -0.00   0.01   0.00     0.00  -0.01  -0.00    -0.01   0.01   0.00
    35   9    -0.00   0.00  -0.00     0.01  -0.03  -0.00     0.00  -0.02  -0.00
    36   1    -0.05   0.01   0.06    -0.05   0.01   0.04     0.03  -0.00  -0.00
    37   1    -0.03  -0.09   0.02    -0.05  -0.06  -0.00     0.03   0.03   0.02
    38   1     0.06   0.05  -0.08     0.02   0.03  -0.06    -0.00  -0.01   0.04
    39   1     0.13  -0.01   0.02     0.06  -0.01   0.00    -0.02   0.01   0.02
    40   1    -0.01  -0.00   0.00    -0.02  -0.01  -0.01     0.00   0.01   0.03
    41   1     0.06  -0.24   0.07     0.10  -0.25   0.02    -0.16   0.23   0.03
    42   1    -0.24  -0.01   0.05    -0.21   0.01   0.04     0.13  -0.03  -0.02
    43   1     0.10   0.11  -0.05     0.15   0.14  -0.07    -0.22  -0.16   0.08
    44   1    -0.12   0.28  -0.08    -0.14   0.28  -0.04     0.13  -0.26  -0.00
    45   1     0.04  -0.07   0.23     0.06  -0.10   0.31    -0.08   0.06  -0.31
    46   1     0.01  -0.17  -0.25     0.06  -0.20  -0.23    -0.08   0.15   0.16
    47   1     0.08   0.04   0.09     0.06   0.03   0.04    -0.02  -0.00   0.01
    48   1     0.06  -0.02   0.04     0.03  -0.03  -0.03     0.02   0.03   0.11
    49   1    -0.00   0.07   0.07    -0.03   0.02   0.03     0.08   0.05   0.01
    50   1    -0.24  -0.01  -0.05     0.21  -0.01   0.04     0.14  -0.03   0.02
    51   1     0.05  -0.24  -0.07    -0.10   0.25   0.03    -0.16   0.24  -0.03
    52   1     0.10   0.11   0.05    -0.15  -0.14  -0.07    -0.23  -0.16  -0.08
    53   1     0.01  -0.17   0.24    -0.06   0.19  -0.23    -0.08   0.16  -0.17
    54   1     0.04  -0.07  -0.23    -0.06   0.10   0.30    -0.08   0.07   0.32
    55   1    -0.11   0.27   0.08     0.14  -0.28  -0.04     0.13  -0.26   0.00
    56   1     0.06   0.05   0.08    -0.02  -0.03  -0.06    -0.00  -0.01  -0.05
    57   1     0.13  -0.01  -0.02    -0.06   0.01   0.00    -0.02   0.01  -0.02
    58   1    -0.03  -0.09  -0.02     0.05   0.06  -0.00     0.03   0.03  -0.02
    59   1    -0.05   0.01  -0.06     0.05  -0.01   0.04     0.03  -0.00   0.00
    60   1    -0.01  -0.00  -0.00     0.02   0.01  -0.01     0.00   0.01  -0.03
    61   1     0.06  -0.02  -0.04    -0.03   0.03  -0.03     0.02   0.03  -0.11
    62   1     0.08   0.04  -0.09    -0.06  -0.03   0.04    -0.02  -0.00  -0.01
    63   1    -0.00   0.07  -0.07     0.03  -0.02   0.03     0.08   0.05  -0.01
                     19                     20                     21
                      A                      A                      A
 Frequencies --    189.5753               189.8258               207.0869
 Red. masses --      1.2184                 1.1919                 1.9847
 Frc consts  --      0.0258                 0.0253                 0.0501
 IR Inten    --      0.3501                 0.1268                 0.6486
 RamAct Fr= 1--      0.0926                 0.4079                 0.0874
  Dep-P Fr= 1--      0.4930                 0.1559                 0.7499
  Dep-U Fr= 1--      0.6604                 0.2698                 0.8571
 Alpha2 Fr= 1--      0.0005                 0.0062                 0.0000
 Beta2  Fr= 1--      0.0102                 0.0183                 0.0125
 AlphaG Fr= 1--     -0.0006                -0.0076                 0.0000
 Gamma2 Fr= 1--      0.0145                 0.4016                -0.4100
 Delta2 Fr= 1--     -0.0809                 0.0573                -0.1721
 Raman1 Fr= 1--       0.370                  1.632                  0.350
 ROA1   Fr= 1--      -1.198                 40.390                -44.868
 CID1   Fr= 1--      -3.234                 24.753               -128.275
 Raman2 Fr= 1--       0.122                  0.220                  0.150
 ROA2   Fr= 1--       0.995                  9.181                 -8.463
 CID2   Fr= 1--       8.137                 41.710                -56.459
 Raman3 Fr= 1--       0.245                  0.440                  0.300
 ROA3   Fr= 1--      -1.198                 40.390                -44.868
 CID3   Fr= 1--      -4.898                 91.749               -149.667
 RC180  Fr= 1--       0.321                 -0.460                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01   0.00    -0.01   0.01  -0.00     0.02  -0.03  -0.00
     2   6     0.01  -0.01   0.00    -0.01   0.00   0.00     0.02  -0.02  -0.00
     3   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.01  -0.02  -0.00
     4   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.01     0.01  -0.02  -0.00
     5   6    -0.00  -0.01   0.00    -0.00   0.01  -0.00    -0.00  -0.03  -0.01
     6   6    -0.01  -0.02  -0.00     0.02   0.02   0.01     0.01  -0.03  -0.00
     7   6     0.00  -0.01   0.00     0.00   0.01  -0.00     0.01  -0.02  -0.00
     8   8     0.00   0.00  -0.02    -0.00  -0.00   0.00     0.01  -0.01   0.02
     9  29    -0.00   0.01   0.00     0.00  -0.00   0.01    -0.01   0.05   0.00
    10   8    -0.00   0.01   0.00     0.00  -0.01  -0.01    -0.01   0.02   0.01
    11   6    -0.00   0.00  -0.00     0.00  -0.01  -0.00    -0.01  -0.00   0.00
    12   6    -0.00   0.00  -0.00     0.00  -0.01  -0.00    -0.01   0.01   0.00
    13   9    -0.00   0.01   0.00     0.00  -0.01  -0.00    -0.00   0.02   0.01
    14   6    -0.00  -0.01  -0.01    -0.02  -0.01   0.02    -0.06  -0.04  -0.02
    15   6    -0.01   0.03   0.01     0.02  -0.04  -0.03    -0.03   0.08   0.00
    16   6     0.01  -0.04  -0.00    -0.00   0.07   0.01     0.05  -0.08  -0.01
    17   8     0.00   0.00   0.02    -0.00   0.00  -0.01     0.01  -0.01  -0.02
    18   6     0.00  -0.00  -0.00    -0.00   0.00  -0.01     0.01  -0.02   0.00
    19   6     0.00  -0.01  -0.00     0.00  -0.00  -0.00    -0.00  -0.03   0.01
    20   6     0.00  -0.01  -0.00    -0.00  -0.00  -0.00     0.01  -0.02   0.00
    21   6     0.01  -0.01  -0.00     0.00  -0.00   0.00     0.02  -0.02   0.00
    22   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.01  -0.02   0.00
    23   6     0.02  -0.01  -0.01     0.01  -0.00  -0.00     0.02  -0.03   0.00
    24   6    -0.01  -0.03   0.01    -0.01  -0.01   0.01     0.01  -0.03   0.00
    25   6     0.01  -0.07   0.01    -0.00  -0.04   0.01     0.05  -0.08   0.01
    26   6    -0.03   0.05  -0.03    -0.01   0.02  -0.02    -0.03   0.09  -0.01
    27   6     0.01  -0.00   0.02     0.02   0.01   0.01    -0.06  -0.04   0.02
    28   6    -0.00   0.00  -0.00    -0.00   0.01  -0.00    -0.01  -0.00  -0.00
    29   6    -0.00   0.01  -0.00    -0.00   0.01  -0.00    -0.01   0.01  -0.00
    30   9    -0.00   0.01  -0.00    -0.00   0.00  -0.00    -0.00   0.02  -0.01
    31   8    -0.00   0.01  -0.01    -0.00   0.00  -0.01    -0.01   0.02  -0.01
    32   9    -0.00   0.02  -0.00    -0.00   0.01  -0.00    -0.01   0.04  -0.00
    33   9     0.00   0.00  -0.00    -0.01   0.01  -0.00     0.02  -0.02   0.00
    34   9     0.00  -0.00  -0.00     0.00  -0.01  -0.00     0.02  -0.02  -0.00
    35   9    -0.00   0.01   0.00     0.01  -0.02  -0.00    -0.01   0.04   0.00
    36   1    -0.03  -0.01   0.04    -0.02  -0.00   0.03     0.00  -0.03   0.00
    37   1    -0.03  -0.06   0.00    -0.02  -0.03   0.00     0.01  -0.04   0.01
    38   1     0.02   0.01  -0.03     0.01   0.01  -0.01     0.02  -0.02  -0.01
    39   1     0.04  -0.03  -0.00     0.02  -0.01   0.00     0.03  -0.03   0.00
    40   1     0.00  -0.01  -0.01    -0.00  -0.00  -0.00     0.01  -0.02  -0.00
    41   1     0.02  -0.09   0.02    -0.00  -0.03   0.02     0.08  -0.15   0.01
    42   1     0.01  -0.11  -0.04     0.00  -0.06  -0.02     0.01  -0.11  -0.03
    43   1     0.03  -0.09   0.06    -0.01  -0.05   0.03     0.11  -0.06   0.05
    44   1    -0.02   0.06  -0.03    -0.01   0.03  -0.02     0.03  -0.07   0.03
    45   1     0.01   0.09  -0.06    -0.00   0.04  -0.03    -0.01   0.22  -0.22
    46   1    -0.09   0.06  -0.01    -0.04   0.02  -0.02    -0.16   0.22   0.16
    47   1    -0.34  -0.21  -0.24    -0.17  -0.10  -0.13     0.11   0.02   0.17
    48   1    -0.09   0.15   0.46    -0.03   0.09   0.27    -0.04  -0.08  -0.20
    49   1     0.44   0.05  -0.16     0.27   0.04  -0.09    -0.29  -0.07   0.12
    50   1     0.01  -0.06   0.02    -0.01   0.10  -0.04     0.01  -0.11   0.03
    51   1     0.02  -0.06  -0.01    -0.01   0.07   0.02     0.08  -0.15  -0.01
    52   1     0.03  -0.05  -0.03    -0.01   0.09   0.06     0.11  -0.06  -0.05
    53   1    -0.05   0.04  -0.00     0.08  -0.05  -0.02    -0.16   0.22  -0.16
    54   1     0.01   0.06   0.03    -0.00  -0.08  -0.05    -0.01   0.22   0.22
    55   1    -0.01   0.03   0.01     0.02  -0.06  -0.04     0.03  -0.07  -0.03
    56   1     0.01   0.00   0.02    -0.02  -0.01  -0.03     0.02  -0.02   0.01
    57   1     0.03  -0.02   0.00    -0.04   0.02   0.00     0.03  -0.03  -0.00
    58   1    -0.01  -0.03  -0.00     0.03   0.06   0.01     0.01  -0.04  -0.01
    59   1    -0.02  -0.01  -0.02     0.04   0.01   0.04     0.00  -0.03  -0.00
    60   1     0.00  -0.01   0.01    -0.00   0.01  -0.01     0.01  -0.02   0.00
    61   1    -0.06   0.09  -0.25     0.07  -0.15   0.47    -0.04  -0.08   0.21
    62   1    -0.20  -0.12   0.13     0.32   0.19  -0.23     0.11   0.02  -0.17
    63   1     0.24   0.02   0.09    -0.46  -0.06  -0.16    -0.30  -0.07  -0.12
                     22                     23                     24
                      A                      A                      A
 Frequencies --    212.8152               216.9552               223.7127
 Red. masses --      1.9881                 3.7531                 3.7085
 Frc consts  --      0.0531                 0.1041                 0.1094
 IR Inten    --      0.1049                 1.9143                 0.2709
 RamAct Fr= 1--      2.4382                 0.8252                 0.1760
  Dep-P Fr= 1--      0.1168                 0.2020                 0.7500
  Dep-U Fr= 1--      0.2092                 0.3362                 0.8571
 Alpha2 Fr= 1--      0.0410                 0.0111                 0.0000
 Beta2  Fr= 1--      0.0850                 0.0462                 0.0251
 AlphaG Fr= 1--     -0.0022                -0.0164                 0.0000
 Gamma2 Fr= 1--      1.4452                -1.0747                -2.7448
 Delta2 Fr= 1--      0.9610                -0.5878                -0.4741
 Raman1 Fr= 1--       9.753                  3.301                  0.704
 ROA1   Fr= 1--     169.495               -121.982               -278.674
 CID1   Fr= 1--      17.379                -36.954               -395.885
 Raman2 Fr= 1--       1.020                  0.555                  0.302
 ROA2   Fr= 1--      26.998                -21.091                -62.082
 CID2   Fr= 1--      26.471                -38.014               -205.788
 Raman3 Fr= 1--       2.040                  1.110                  0.603
 ROA3   Fr= 1--     169.495               -121.982               -278.674
 CID3   Fr= 1--      83.092               -109.929               -461.869
 RC180  Fr= 1--      -0.582                 -0.328                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.03  -0.00     0.01  -0.02   0.03    -0.02   0.00  -0.01
     2   6    -0.01   0.02   0.00    -0.00  -0.02   0.03    -0.01  -0.01  -0.01
     3   6     0.00   0.01  -0.00    -0.01  -0.01   0.00     0.00  -0.02  -0.01
     4   6    -0.00   0.01   0.00     0.01  -0.01  -0.05     0.02  -0.02   0.00
     5   6     0.00   0.02  -0.00     0.00  -0.02   0.01    -0.01  -0.01  -0.01
     6   6    -0.01   0.04   0.00     0.06   0.00   0.03    -0.00   0.01  -0.00
     7   6    -0.01   0.02  -0.00     0.01  -0.01   0.01    -0.01  -0.01  -0.01
     8   8    -0.01   0.00   0.00     0.01   0.01  -0.15     0.03   0.03   0.06
     9  29     0.00  -0.00   0.01     0.00   0.00   0.09     0.05   0.12  -0.00
    10   8     0.02  -0.01  -0.01    -0.02   0.01  -0.03    -0.00   0.02   0.00
    11   6     0.02  -0.01  -0.00    -0.03   0.01  -0.04    -0.01  -0.03   0.00
    12   6     0.02  -0.03  -0.00    -0.02   0.03  -0.03     0.01  -0.03   0.00
    13   9     0.02  -0.05  -0.01    -0.05   0.11   0.01     0.02  -0.04  -0.00
    14   6     0.01   0.02   0.02    -0.11  -0.06   0.04    -0.18  -0.05  -0.02
    15   6     0.04  -0.10  -0.01     0.03  -0.03  -0.05     0.03  -0.09  -0.01
    16   6    -0.06   0.10   0.00     0.06   0.05   0.03    -0.05   0.06  -0.00
    17   8     0.01  -0.00   0.00    -0.01  -0.01  -0.15     0.03   0.03  -0.06
    18   6     0.00  -0.01   0.00    -0.01   0.01  -0.05     0.02  -0.02  -0.00
    19   6    -0.00  -0.02  -0.00    -0.00   0.02   0.01    -0.01  -0.01   0.01
    20   6     0.01  -0.02  -0.00    -0.01   0.01   0.01    -0.01  -0.01   0.01
    21   6     0.01  -0.02   0.00     0.00   0.02   0.03    -0.01  -0.01   0.01
    22   6    -0.00  -0.01  -0.00     0.01   0.01   0.00     0.00  -0.02   0.01
    23   6     0.02  -0.03  -0.00    -0.01   0.02   0.03    -0.02   0.00   0.01
    24   6     0.01  -0.04   0.00    -0.06  -0.00   0.03    -0.00   0.01   0.00
    25   6     0.06  -0.10   0.00    -0.06  -0.05   0.03    -0.05   0.06   0.00
    26   6    -0.04   0.10  -0.01    -0.03   0.03  -0.05     0.03  -0.09   0.01
    27   6    -0.01  -0.02   0.02     0.11   0.06   0.04    -0.18  -0.05   0.02
    28   6    -0.02   0.01  -0.00     0.03  -0.01  -0.04    -0.01  -0.02  -0.00
    29   6    -0.02   0.03  -0.00     0.03  -0.03  -0.03     0.01  -0.03  -0.00
    30   9    -0.02   0.05  -0.01     0.05  -0.11   0.01     0.02  -0.04   0.00
    31   8    -0.02   0.01  -0.01     0.02  -0.01  -0.03    -0.00   0.02  -0.00
    32   9    -0.02   0.06  -0.00     0.01  -0.01  -0.01     0.01  -0.00  -0.00
    33   9    -0.01   0.02  -0.00    -0.00   0.01  -0.01     0.04  -0.06   0.01
    34   9     0.01  -0.02  -0.00     0.00  -0.01  -0.01     0.04  -0.06  -0.01
    35   9     0.02  -0.06  -0.00    -0.01   0.01  -0.01     0.01  -0.00   0.00
    36   1     0.00  -0.03   0.01    -0.09   0.02   0.08     0.01   0.00  -0.02
    37   1     0.01  -0.04   0.00    -0.10  -0.05  -0.00     0.01   0.03   0.01
    38   1     0.02  -0.03  -0.01    -0.01   0.06   0.02    -0.02  -0.01   0.03
    39   1     0.02  -0.04  -0.00     0.01   0.00   0.03    -0.04   0.01   0.01
    40   1    -0.00  -0.03  -0.01     0.01   0.02   0.03     0.01  -0.00   0.02
    41   1     0.10  -0.19   0.01    -0.12   0.10   0.06    -0.03   0.02   0.02
    42   1    -0.00  -0.13  -0.04     0.08  -0.12  -0.05    -0.11   0.10   0.06
    43   1     0.13  -0.06   0.06    -0.17  -0.20   0.11    -0.04   0.11  -0.08
    44   1     0.02  -0.06   0.02    -0.02   0.06  -0.06     0.00  -0.02  -0.00
    45   1    -0.01   0.24  -0.23    -0.02   0.04  -0.05    -0.00  -0.18   0.13
    46   1    -0.18   0.24   0.16    -0.07   0.02  -0.06     0.12  -0.17  -0.08
    47   1     0.14   0.05   0.15     0.28   0.18   0.15    -0.32  -0.21  -0.02
    48   1     0.02  -0.08  -0.17     0.21  -0.08  -0.07    -0.29   0.11   0.09
    49   1    -0.21  -0.02   0.10    -0.04   0.13   0.10    -0.11  -0.10  -0.01
    50   1     0.00   0.13  -0.04    -0.08   0.12  -0.05    -0.11   0.10  -0.06
    51   1    -0.10   0.19   0.01     0.12  -0.10   0.06    -0.03   0.02  -0.02
    52   1    -0.13   0.07   0.06     0.17   0.20   0.11    -0.04   0.11   0.08
    53   1     0.18  -0.24   0.16     0.07  -0.02  -0.06     0.12  -0.17   0.08
    54   1     0.01  -0.24  -0.23     0.02  -0.04  -0.06    -0.00  -0.18  -0.13
    55   1    -0.02   0.06   0.02     0.02  -0.06  -0.06     0.00  -0.02   0.00
    56   1    -0.02   0.03  -0.01     0.01  -0.06   0.02    -0.02  -0.01  -0.03
    57   1    -0.02   0.04  -0.00    -0.01  -0.00   0.03    -0.04   0.01  -0.01
    58   1    -0.01   0.05   0.00     0.10   0.05  -0.00     0.01   0.03  -0.01
    59   1    -0.00   0.03   0.01     0.09  -0.02   0.08     0.01   0.00   0.02
    60   1     0.00   0.03  -0.01    -0.01  -0.02   0.03     0.01  -0.00  -0.02
    61   1    -0.02   0.08  -0.17    -0.21   0.09  -0.07    -0.29   0.11  -0.09
    62   1    -0.14  -0.05   0.15    -0.28  -0.18   0.15    -0.32  -0.21   0.02
    63   1     0.21   0.02   0.10     0.04  -0.13   0.10    -0.11  -0.10   0.01
                     25                     26                     27
                      A                      A                      A
 Frequencies --    228.1403               228.6376               232.9474
 Red. masses --      1.1402                 1.2269                 4.4071
 Frc consts  --      0.0350                 0.0378                 0.1409
 IR Inten    --      0.0550                 0.1437                 3.4858
 RamAct Fr= 1--      0.1832                 0.3817                 0.1045
  Dep-P Fr= 1--      0.7490                 0.5998                 0.7499
  Dep-U Fr= 1--      0.8565                 0.7499                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0011                 0.0000
 Beta2  Fr= 1--      0.0261                 0.0477                 0.0149
 AlphaG Fr= 1--      0.0000                 0.0142                -0.0000
 Gamma2 Fr= 1--      0.0368                 0.5504                 0.1625
 Delta2 Fr= 1--     -0.0717                 0.2637                -0.2873
 Raman1 Fr= 1--       0.733                  1.527                  0.418
 ROA1   Fr= 1--       1.239                 61.278                  6.404
 CID1   Fr= 1--       1.692                 40.137                 15.316
 Raman2 Fr= 1--       0.314                  0.572                  0.179
 ROA2   Fr= 1--       1.457                 11.100                  6.197
 CID2   Fr= 1--       4.644                 19.392                 34.584
 Raman3 Fr= 1--       0.628                  1.145                  0.358
 ROA3   Fr= 1--       1.239                 61.278                  6.404
 CID3   Fr= 1--       1.975                 53.527                 17.870
 RC180  Fr= 1--       0.713                  0.500                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.00   0.02     0.03  -0.00   0.02    -0.10  -0.01  -0.02
     2   6     0.01   0.01   0.01     0.01   0.00   0.01    -0.03   0.01   0.00
     3   6     0.01   0.00   0.01     0.01  -0.00   0.01    -0.03   0.00   0.04
     4   6     0.00  -0.00   0.00     0.00  -0.01  -0.00    -0.02   0.03   0.02
     5   6    -0.01   0.00  -0.00    -0.01  -0.00  -0.00    -0.02   0.01   0.01
     6   6    -0.01  -0.01  -0.01    -0.01  -0.02  -0.01    -0.12  -0.02  -0.03
     7   6    -0.00   0.01   0.00     0.00   0.01   0.01    -0.04   0.00   0.00
     8   8    -0.00  -0.00  -0.00     0.00  -0.01  -0.01     0.00   0.09  -0.04
     9  29    -0.00   0.00  -0.00    -0.00  -0.00   0.01     0.08   0.08  -0.00
    10   8     0.00   0.01  -0.01     0.00   0.01  -0.01     0.01  -0.01  -0.04
    11   6     0.00   0.00   0.00     0.00   0.01  -0.00     0.01  -0.02   0.01
    12   6     0.00   0.00   0.00    -0.00   0.01  -0.00     0.03  -0.05   0.01
    13   9     0.00  -0.00   0.00    -0.01   0.02   0.00     0.05  -0.10  -0.01
    14   6    -0.03   0.01  -0.03    -0.06  -0.00  -0.03     0.12   0.04   0.03
    15   6     0.00   0.00  -0.00     0.01  -0.00  -0.01    -0.08   0.07   0.03
    16   6     0.02  -0.03   0.00     0.03  -0.03   0.00    -0.07  -0.05  -0.02
    17   8     0.00  -0.01   0.01    -0.00   0.01  -0.01     0.00   0.09   0.04
    18   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.02   0.03  -0.02
    19   6    -0.01   0.00   0.00     0.01   0.00  -0.00    -0.02   0.01  -0.01
    20   6     0.00   0.01  -0.01    -0.00  -0.01   0.01    -0.04   0.00  -0.00
    21   6     0.01   0.01  -0.01    -0.01  -0.00   0.01    -0.03   0.01  -0.00
    22   6     0.01   0.00  -0.01    -0.01   0.00   0.01    -0.03   0.00  -0.04
    23   6     0.03   0.00  -0.02    -0.03   0.00   0.02    -0.10  -0.01   0.02
    24   6    -0.01  -0.01   0.01     0.01   0.01  -0.00    -0.12  -0.02   0.03
    25   6     0.02  -0.03  -0.00    -0.03   0.03   0.00    -0.07  -0.05   0.02
    26   6     0.01   0.00   0.00    -0.01   0.00  -0.01    -0.08   0.07  -0.03
    27   6    -0.04   0.01   0.03     0.05   0.00  -0.03     0.12   0.03  -0.03
    28   6     0.00   0.00  -0.00    -0.00  -0.01  -0.00     0.01  -0.02  -0.01
    29   6    -0.00   0.00  -0.00     0.00  -0.01  -0.00     0.03  -0.05  -0.01
    30   9     0.00  -0.00  -0.00     0.01  -0.02   0.00     0.05  -0.10   0.01
    31   8     0.00   0.01   0.01    -0.00  -0.01  -0.01     0.01  -0.01   0.04
    32   9    -0.00   0.01  -0.00     0.00  -0.01  -0.00     0.03  -0.06  -0.00
    33   9    -0.00   0.01  -0.00     0.01  -0.01   0.00     0.03  -0.05  -0.00
    34   9    -0.00   0.01   0.00    -0.01   0.01   0.00     0.03  -0.05   0.00
    35   9    -0.00   0.01   0.00    -0.01   0.01  -0.00     0.03  -0.06   0.00
    36   1    -0.04   0.01   0.04     0.03  -0.00  -0.03    -0.15  -0.00   0.13
    37   1    -0.03  -0.06   0.00     0.02   0.05  -0.00    -0.19  -0.07  -0.03
    38   1     0.03   0.03  -0.06    -0.03  -0.02   0.06    -0.10   0.02   0.06
    39   1     0.07  -0.01  -0.01    -0.07   0.02   0.01    -0.11  -0.04  -0.00
    40   1     0.01   0.01  -0.03    -0.01  -0.01   0.03    -0.02   0.01   0.01
    41   1    -0.10   0.27  -0.05     0.08  -0.24   0.05    -0.09  -0.01   0.05
    42   1     0.35  -0.13  -0.11    -0.33   0.12   0.11    -0.05  -0.09  -0.03
    43   1    -0.17  -0.30   0.16     0.14   0.27  -0.15    -0.11  -0.11   0.06
    44   1    -0.07   0.17  -0.02     0.06  -0.15   0.02    -0.11   0.13  -0.04
    45   1     0.04  -0.06   0.19    -0.04   0.06  -0.18    -0.02   0.11  -0.01
    46   1     0.06  -0.12  -0.14    -0.06   0.11   0.12    -0.14   0.05  -0.06
    47   1    -0.00   0.00   0.08     0.03   0.02  -0.07     0.24   0.17   0.01
    48   1    -0.04   0.01  -0.02     0.07  -0.02   0.02     0.21  -0.11  -0.10
    49   1    -0.10   0.01   0.05     0.11   0.01  -0.05     0.05   0.07  -0.00
    50   1     0.32  -0.12   0.11     0.36  -0.13   0.12    -0.04  -0.10   0.04
    51   1    -0.10   0.25   0.04    -0.09   0.26   0.05    -0.09  -0.01  -0.05
    52   1    -0.15  -0.28  -0.15    -0.15  -0.29  -0.16    -0.11  -0.11  -0.06
    53   1     0.05  -0.11   0.13     0.07  -0.12   0.13    -0.13   0.05   0.06
    54   1     0.04  -0.06  -0.18     0.04  -0.07  -0.20    -0.02   0.11   0.00
    55   1    -0.07   0.16   0.02    -0.07   0.16   0.02    -0.11   0.14   0.04
    56   1     0.03   0.03   0.05     0.03   0.02   0.06    -0.10   0.02  -0.06
    57   1     0.06  -0.01   0.01     0.07  -0.02   0.01    -0.11  -0.04   0.00
    58   1    -0.03  -0.06  -0.00    -0.02  -0.06  -0.01    -0.19  -0.07   0.03
    59   1    -0.04   0.01  -0.04    -0.03   0.01  -0.03    -0.15  -0.00  -0.13
    60   1     0.01   0.01   0.03     0.01   0.01   0.03    -0.02   0.01  -0.01
    61   1    -0.03   0.00   0.02    -0.07   0.02   0.02     0.21  -0.11   0.10
    62   1     0.00   0.00  -0.07    -0.03  -0.02  -0.08     0.24   0.17  -0.01
    63   1    -0.09   0.01  -0.05    -0.12  -0.01  -0.05     0.05   0.07  -0.00
                     28                     29                     30
                      A                      A                      A
 Frequencies --    236.6287               251.8655               255.6901
 Red. masses --      3.5713                 2.9348                 2.9903
 Frc consts  --      0.1178                 0.1097                 0.1152
 IR Inten    --      2.7494                 5.1001                 0.9391
 RamAct Fr= 1--      0.9980                 1.3023                 2.4959
  Dep-P Fr= 1--      0.7104                 0.7499                 0.2142
  Dep-U Fr= 1--      0.8307                 0.8571                 0.3528
 Alpha2 Fr= 1--      0.0007                 0.0000                 0.0326
 Beta2  Fr= 1--      0.1382                 0.1860                 0.1468
 AlphaG Fr= 1--     -0.0085                 0.0000                 0.1131
 Gamma2 Fr= 1--      0.3796                 0.2792                -2.7473
 Delta2 Fr= 1--      0.3741                 1.3213                -1.8140
 Raman1 Fr= 1--       3.992                  5.209                  9.984
 ROA1   Fr= 1--      48.409                 69.087               -321.783
 CID1   Fr= 1--      12.126                 13.262                -32.231
 Raman2 Fr= 1--       1.658                  2.232                  1.761
 ROA2   Fr= 1--       6.117                 -3.869                -51.422
 CID2   Fr= 1--       3.689                 -1.733                -29.196
 Raman3 Fr= 1--       3.316                  4.465                  3.523
 ROA3   Fr= 1--      48.409                 69.087               -321.783
 CID3   Fr= 1--      14.598                 15.474                -91.348
 RC180  Fr= 1--       0.661                  0.714                 -0.294
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.02  -0.02    -0.08   0.01  -0.02     0.09  -0.01   0.01
     2   6     0.02  -0.00  -0.03    -0.02   0.02   0.00     0.02  -0.02  -0.01
     3   6     0.02  -0.01  -0.02    -0.01   0.02   0.04     0.01  -0.02  -0.05
     4   6     0.03  -0.02   0.02    -0.00   0.02   0.02     0.02  -0.03  -0.01
     5   6     0.01  -0.00  -0.01    -0.01   0.03   0.02     0.01  -0.03  -0.03
     6   6     0.07   0.03   0.01     0.01   0.03   0.03    -0.01  -0.04  -0.04
     7   6     0.02  -0.01  -0.01     0.00  -0.00   0.02     0.00  -0.00  -0.03
     8   8     0.02  -0.04   0.15    -0.00   0.02  -0.02     0.02  -0.04   0.06
     9  29    -0.00   0.00  -0.07     0.05  -0.04  -0.00    -0.00   0.00  -0.03
    10   8    -0.01   0.02   0.02     0.02  -0.01  -0.05    -0.02  -0.00   0.05
    11   6    -0.01   0.01   0.03     0.02   0.01   0.02    -0.02  -0.01  -0.00
    12   6    -0.02   0.02   0.03     0.01   0.02   0.02    -0.03   0.01  -0.00
    13   9    -0.00  -0.01   0.01     0.02  -0.03   0.00    -0.03   0.05   0.01
    14   6    -0.16  -0.02  -0.07    -0.06   0.08  -0.13     0.04  -0.09   0.12
    15   6     0.06  -0.09   0.00     0.02  -0.06   0.03    -0.02   0.06  -0.03
    16   6     0.01   0.01  -0.01     0.04  -0.11   0.01    -0.05   0.11  -0.02
    17   8    -0.02   0.04   0.15    -0.00   0.02   0.02    -0.02   0.04   0.06
    18   6    -0.03   0.02   0.02    -0.00   0.03  -0.02    -0.02   0.03  -0.01
    19   6    -0.01   0.00  -0.01    -0.01   0.03  -0.02    -0.01   0.03  -0.03
    20   6    -0.02   0.01  -0.01     0.00  -0.00  -0.02    -0.00   0.00  -0.03
    21   6    -0.02   0.00  -0.02    -0.02   0.02  -0.00    -0.02   0.02  -0.01
    22   6    -0.02   0.01  -0.02    -0.01   0.02  -0.05    -0.01   0.02  -0.05
    23   6    -0.03  -0.02  -0.02    -0.08   0.01   0.02    -0.08   0.01   0.01
    24   6    -0.07  -0.03   0.01     0.01   0.03  -0.03     0.01   0.04  -0.04
    25   6    -0.01  -0.01  -0.01     0.04  -0.11  -0.01     0.05  -0.11  -0.02
    26   6    -0.06   0.09   0.00     0.02  -0.06  -0.03     0.02  -0.06  -0.03
    27   6     0.16   0.02  -0.07    -0.06   0.08   0.13    -0.03   0.09   0.12
    28   6     0.01  -0.01   0.03     0.02   0.01  -0.02     0.02   0.01  -0.00
    29   6     0.02  -0.02   0.03     0.01   0.02  -0.02     0.03  -0.01  -0.00
    30   9     0.00   0.01   0.01     0.02  -0.03  -0.00     0.03  -0.05   0.01
    31   8     0.01  -0.02   0.02     0.02  -0.01   0.05     0.02   0.00   0.05
    32   9     0.03  -0.08   0.02    -0.00   0.01  -0.01     0.03  -0.05  -0.00
    33   9     0.01  -0.02   0.01    -0.03   0.06  -0.02    -0.01   0.02  -0.01
    34   9    -0.01   0.02   0.01    -0.03   0.06   0.02     0.01  -0.02  -0.01
    35   9    -0.03   0.08   0.02    -0.00   0.01   0.01    -0.03   0.05  -0.00
    36   1    -0.10  -0.01   0.09     0.06  -0.01  -0.08     0.07  -0.01  -0.10
    37   1    -0.11  -0.08  -0.02     0.03   0.12  -0.03     0.03   0.13  -0.04
    38   1    -0.03   0.01  -0.02    -0.09  -0.05   0.11    -0.09  -0.05   0.10
    39   1    -0.01  -0.04  -0.02    -0.18   0.03  -0.01    -0.19   0.03  -0.02
    40   1    -0.02   0.00  -0.03    -0.01   0.02   0.01    -0.02   0.02   0.00
    41   1    -0.06   0.11  -0.03     0.10  -0.26   0.01     0.11  -0.24  -0.01
    42   1     0.13  -0.05  -0.06    -0.08  -0.14  -0.05    -0.04  -0.14  -0.07
    43   1    -0.08  -0.12   0.07     0.14  -0.04   0.03     0.15  -0.05   0.04
    44   1    -0.11   0.15   0.00     0.06  -0.12  -0.03     0.05  -0.11  -0.02
    45   1     0.01   0.13   0.05    -0.03  -0.09  -0.07    -0.03  -0.08  -0.06
    46   1    -0.10   0.06  -0.02     0.05  -0.04  -0.01     0.06  -0.04  -0.01
    47   1     0.25   0.18  -0.10    -0.04  -0.02   0.24    -0.00   0.01   0.23
    48   1     0.26  -0.13  -0.12    -0.08   0.11   0.15    -0.04   0.10   0.17
    49   1     0.15   0.02  -0.07    -0.13   0.19   0.15    -0.09   0.22   0.13
    50   1    -0.13   0.06  -0.06    -0.08  -0.14   0.05     0.04   0.15  -0.07
    51   1     0.06  -0.11  -0.03     0.10  -0.26  -0.01    -0.11   0.24  -0.01
    52   1     0.08   0.12   0.07     0.14  -0.04  -0.03    -0.15   0.05   0.04
    53   1     0.10  -0.06  -0.02     0.05  -0.04   0.01    -0.06   0.04  -0.01
    54   1    -0.01  -0.13   0.05    -0.03  -0.09   0.07     0.03   0.08  -0.06
    55   1     0.11  -0.15   0.00     0.06  -0.12   0.03    -0.05   0.11  -0.02
    56   1     0.03  -0.01  -0.02    -0.09  -0.05  -0.11     0.09   0.05   0.11
    57   1     0.01   0.04  -0.02    -0.18   0.02   0.01     0.19  -0.03  -0.02
    58   1     0.11   0.09  -0.02     0.03   0.12   0.03    -0.03  -0.13  -0.04
    59   1     0.10   0.01   0.09     0.06  -0.01   0.08    -0.07   0.01  -0.10
    60   1     0.02  -0.00  -0.03    -0.01   0.02  -0.01     0.02  -0.02   0.00
    61   1    -0.26   0.13  -0.12    -0.08   0.11  -0.15     0.04  -0.10   0.17
    62   1    -0.25  -0.18  -0.10    -0.04  -0.02  -0.24     0.00  -0.01   0.24
    63   1    -0.15  -0.02  -0.07    -0.13   0.19  -0.14     0.09  -0.23   0.14
                     31                     32                     33
                      A                      A                      A
 Frequencies --    264.9147               270.2058               275.5423
 Red. masses --     11.5054                 7.2153                 8.8991
 Frc consts  --      0.4757                 0.3104                 0.3981
 IR Inten    --     31.8647                17.9328                 4.4600
 RamAct Fr= 1--      0.3473                 0.2747                 0.5944
  Dep-P Fr= 1--      0.7500                 0.7500                 0.4888
  Dep-U Fr= 1--      0.8571                 0.8571                 0.6566
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0031
 Beta2  Fr= 1--      0.0496                 0.0392                 0.0650
 AlphaG Fr= 1--     -0.0000                 0.0000                 0.1534
 Gamma2 Fr= 1--      1.7213                -1.7522                 0.9549
 Delta2 Fr= 1--      0.8366                -1.0649                -0.5827
 Raman1 Fr= 1--       1.389                  1.099                  2.378
 ROA1   Fr= 1--     192.019               -202.283                 73.022
 CID1   Fr= 1--     138.215               -184.074                 30.713
 Raman2 Fr= 1--       0.595                  0.471                  0.781
 ROA2   Fr= 1--      34.619                -33.533                 27.578
 CID2   Fr= 1--      58.144                -71.200                 35.331
 Raman3 Fr= 1--       1.191                  0.942                  1.561
 ROA3   Fr= 1--     192.019               -202.283                 73.022
 CID3   Fr= 1--     161.253               -214.753                 46.775
 RC180  Fr= 1--       0.714                  0.714                  0.313
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.07   0.02     0.00  -0.04  -0.04     0.01   0.01   0.03
     2   6    -0.02  -0.03   0.03     0.03  -0.02  -0.02    -0.00  -0.00   0.01
     3   6    -0.02   0.00   0.01     0.03  -0.01   0.00     0.00   0.01  -0.01
     4   6     0.01   0.00   0.04     0.04  -0.02  -0.03    -0.01  -0.01   0.07
     5   6    -0.01  -0.03   0.03     0.01  -0.02  -0.05    -0.02  -0.01   0.05
     6   6    -0.11  -0.09  -0.03    -0.02  -0.04  -0.07    -0.08  -0.04   0.02
     7   6    -0.02  -0.02   0.02     0.00  -0.01  -0.04     0.00  -0.01   0.04
     8   8     0.02   0.04  -0.03     0.04  -0.04   0.02    -0.01  -0.01   0.04
     9  29     0.23  -0.06  -0.00     0.11  -0.07  -0.00     0.00  -0.00  -0.08
    10   8     0.01  -0.07   0.18     0.01   0.01  -0.14     0.01  -0.04   0.28
    11   6     0.01   0.02  -0.05     0.01   0.01   0.05     0.01   0.01  -0.04
    12   6    -0.02   0.08  -0.10    -0.03   0.05   0.09     0.02   0.02  -0.12
    13   9    -0.11   0.28   0.01     0.01  -0.07   0.03    -0.06   0.22  -0.01
    14   6    -0.07  -0.05   0.04    -0.02  -0.10   0.11    -0.02   0.04  -0.06
    15   6    -0.03  -0.01  -0.01    -0.02   0.03   0.00     0.03  -0.06   0.01
    16   6    -0.03   0.01   0.03    -0.10   0.02  -0.07     0.03   0.02   0.06
    17   8     0.02   0.04   0.03     0.04  -0.04  -0.02     0.01   0.01   0.04
    18   6     0.01   0.00  -0.04     0.04  -0.02   0.03     0.01   0.01   0.07
    19   6    -0.01  -0.03  -0.03     0.01  -0.02   0.05     0.02   0.01   0.05
    20   6    -0.02  -0.02  -0.02     0.00  -0.01   0.04    -0.00   0.01   0.04
    21   6    -0.02  -0.03  -0.03     0.03  -0.02   0.02     0.00   0.00   0.01
    22   6    -0.02   0.00  -0.01     0.03  -0.01  -0.00    -0.00  -0.01  -0.01
    23   6    -0.04  -0.07  -0.02     0.00  -0.04   0.04    -0.01  -0.01   0.03
    24   6    -0.11  -0.09   0.03    -0.02  -0.04   0.07     0.08   0.04   0.02
    25   6    -0.03   0.01  -0.03    -0.10   0.02   0.07    -0.03  -0.02   0.06
    26   6    -0.03  -0.01   0.01    -0.02   0.03  -0.00    -0.03   0.06   0.01
    27   6    -0.07  -0.05  -0.04    -0.02  -0.10  -0.11     0.02  -0.04  -0.06
    28   6     0.01   0.02   0.05     0.01   0.01  -0.05    -0.01  -0.01  -0.04
    29   6    -0.02   0.08   0.10    -0.03   0.05  -0.09    -0.02  -0.02  -0.12
    30   9    -0.11   0.28  -0.01     0.01  -0.07  -0.03     0.06  -0.22  -0.01
    31   8     0.01  -0.07  -0.18     0.01   0.01   0.14    -0.01   0.04   0.28
    32   9     0.02  -0.10   0.07    -0.08   0.22  -0.05    -0.07   0.21  -0.07
    33   9    -0.05   0.09   0.05    -0.07   0.10  -0.06    -0.01  -0.01  -0.07
    34   9    -0.05   0.09  -0.05    -0.07   0.10   0.06     0.01   0.01  -0.07
    35   9     0.02  -0.10  -0.07    -0.08   0.22   0.05     0.07  -0.21  -0.07
    36   1    -0.18  -0.05   0.16    -0.04  -0.03   0.12     0.15  -0.02  -0.05
    37   1    -0.20  -0.21  -0.03    -0.05  -0.08   0.05     0.14   0.12   0.06
    38   1    -0.04  -0.01  -0.02     0.00  -0.02   0.04    -0.01  -0.08   0.06
    39   1     0.00  -0.12  -0.03     0.01  -0.06   0.03    -0.07   0.01   0.02
    40   1    -0.04  -0.04  -0.04     0.04  -0.01   0.01     0.02   0.01   0.01
    41   1    -0.04   0.04  -0.03    -0.10   0.03   0.13    -0.03  -0.02   0.09
    42   1    -0.01   0.03  -0.01    -0.15   0.04   0.09    -0.05  -0.04   0.03
    43   1    -0.06   0.00  -0.05    -0.14   0.03  -0.01    -0.04  -0.03   0.06
    44   1    -0.04  -0.06   0.03    -0.04   0.11  -0.02    -0.08   0.21  -0.02
    45   1    -0.01   0.02  -0.03     0.01   0.03   0.05     0.03   0.05   0.14
    46   1    -0.04   0.03   0.06    -0.06  -0.02  -0.06    -0.05  -0.03  -0.10
    47   1    -0.05  -0.06  -0.01    -0.05  -0.04  -0.20    -0.02   0.01  -0.16
    48   1    -0.10  -0.02  -0.11    -0.04  -0.07  -0.19     0.01  -0.03  -0.09
    49   1    -0.13  -0.10  -0.01    -0.00  -0.27  -0.10     0.07  -0.15  -0.08
    50   1    -0.01   0.03   0.01    -0.15   0.04  -0.09     0.04   0.04   0.03
    51   1    -0.05   0.04   0.03    -0.10   0.03  -0.13     0.03   0.02   0.09
    52   1    -0.06   0.00   0.05    -0.14   0.03   0.01     0.04   0.03   0.06
    53   1    -0.04   0.03  -0.06    -0.06  -0.02   0.06     0.05   0.03  -0.10
    54   1    -0.01   0.02   0.03     0.01   0.03  -0.05    -0.03  -0.05   0.14
    55   1    -0.04  -0.05  -0.03    -0.04   0.11   0.02     0.08  -0.21  -0.02
    56   1    -0.04  -0.01   0.02     0.00  -0.02  -0.04     0.01   0.08   0.06
    57   1     0.00  -0.12   0.03     0.01  -0.06  -0.03     0.07  -0.01   0.02
    58   1    -0.20  -0.21   0.03    -0.05  -0.08  -0.05    -0.15  -0.12   0.06
    59   1    -0.18  -0.05  -0.16    -0.04  -0.03  -0.12    -0.15   0.02  -0.05
    60   1    -0.04  -0.04   0.04     0.04  -0.01  -0.01    -0.02  -0.01   0.01
    61   1    -0.10  -0.02   0.11    -0.04  -0.07   0.19    -0.01   0.03  -0.09
    62   1    -0.05  -0.06   0.01    -0.05  -0.04   0.20     0.02  -0.01  -0.16
    63   1    -0.13  -0.10   0.01    -0.00  -0.27   0.10    -0.07   0.15  -0.08
                     34                     35                     36
                      A                      A                      A
 Frequencies --    285.6241               289.2347               308.7917
 Red. masses --      4.6184                 5.4161                 4.4987
 Frc consts  --      0.2220                 0.2670                 0.2527
 IR Inten    --      0.1571                12.3223                 1.0010
 RamAct Fr= 1--      7.0731                 0.0257                 0.5549
  Dep-P Fr= 1--      0.2478                 0.7498                 0.7499
  Dep-U Fr= 1--      0.3972                 0.8570                 0.8571
 Alpha2 Fr= 1--      0.0843                 0.0000                 0.0000
 Beta2  Fr= 1--      0.4683                 0.0037                 0.0793
 AlphaG Fr= 1--     -0.0425                 0.0000                 0.0000
 Gamma2 Fr= 1--      0.8886                -0.5639                -0.4636
 Delta2 Fr= 1--      0.3491                -0.4238                -0.1440
 Raman1 Fr= 1--      28.292                  0.103                  2.220
 ROA1   Fr= 1--      96.481                -67.696                -49.111
 CID1   Fr= 1--       3.410               -657.661                -22.126
 Raman2 Fr= 1--       5.619                  0.044                  0.951
 ROA2   Fr= 1--      18.535                -10.144                 -9.973
 CID2   Fr= 1--       3.298               -229.984                -10.485
 Raman3 Fr= 1--      11.239                  0.088                  1.902
 ROA3   Fr= 1--      96.481                -67.696                -49.111
 CID3   Fr= 1--       8.585               -767.404                -25.816
 RC180  Fr= 1--      -0.206                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.05  -0.04     0.03   0.02   0.03     0.03  -0.10   0.04
     2   6     0.04  -0.01   0.00    -0.05   0.00  -0.00    -0.08  -0.02   0.03
     3   6     0.06   0.00   0.04    -0.07  -0.00  -0.03    -0.06   0.05  -0.03
     4   6     0.03  -0.02   0.01    -0.02   0.03  -0.02    -0.05   0.06  -0.04
     5   6     0.00  -0.03  -0.01    -0.00   0.02  -0.00    -0.02   0.01  -0.03
     6   6    -0.12  -0.08  -0.07     0.13   0.07   0.06     0.13  -0.03   0.01
     7   6     0.02  -0.02  -0.01    -0.02   0.01   0.00    -0.05  -0.01  -0.01
     8   8     0.02  -0.03  -0.04    -0.01   0.06   0.05    -0.05   0.07   0.06
     9  29    -0.00   0.00   0.02     0.11  -0.03  -0.00    -0.00   0.00  -0.00
    10   8     0.06   0.06  -0.02    -0.06  -0.09  -0.02     0.00  -0.03   0.00
    11   6     0.07   0.04   0.01    -0.07  -0.04  -0.01     0.00   0.02  -0.00
    12   6     0.05   0.06   0.01    -0.06  -0.04   0.00     0.06   0.02   0.00
    13   9     0.06   0.01  -0.01    -0.07  -0.01   0.02     0.09  -0.05  -0.03
    14   6    -0.05  -0.07   0.05     0.03   0.04  -0.02    -0.04  -0.04   0.06
    15   6     0.02  -0.06   0.04    -0.04   0.08  -0.05    -0.07   0.03  -0.11
    16   6    -0.08  -0.02  -0.04     0.06   0.01   0.02     0.01  -0.03  -0.00
    17   8    -0.02   0.03  -0.04    -0.01   0.06  -0.05    -0.04   0.07  -0.05
    18   6    -0.03   0.02   0.01    -0.02   0.03   0.02    -0.05   0.05   0.03
    19   6    -0.00   0.03  -0.01    -0.00   0.02   0.00    -0.02   0.01   0.03
    20   6    -0.02   0.02  -0.01    -0.02   0.01  -0.00    -0.05  -0.01   0.01
    21   6    -0.04   0.01   0.00    -0.05   0.00   0.00    -0.07  -0.02  -0.03
    22   6    -0.06  -0.00   0.04    -0.07  -0.00   0.03    -0.06   0.05   0.03
    23   6     0.04   0.05  -0.04     0.03   0.02  -0.03     0.02  -0.09  -0.04
    24   6     0.12   0.08  -0.07     0.13   0.07  -0.06     0.12  -0.03  -0.01
    25   6     0.08   0.02  -0.04     0.06   0.01  -0.02     0.01  -0.03   0.00
    26   6    -0.02   0.06   0.04    -0.04   0.08   0.05    -0.06   0.03   0.10
    27   6     0.05   0.07   0.05     0.03   0.04   0.02    -0.04  -0.03  -0.06
    28   6    -0.07  -0.04   0.01    -0.07  -0.04   0.01     0.00   0.02   0.00
    29   6    -0.05  -0.06   0.01    -0.06  -0.04  -0.00     0.06   0.02  -0.00
    30   9    -0.06  -0.01  -0.01    -0.07  -0.01  -0.02     0.08  -0.04   0.03
    31   8    -0.06  -0.06  -0.02    -0.06  -0.09   0.02     0.00  -0.02  -0.00
    32   9    -0.06   0.01   0.02    -0.09   0.06   0.01     0.08  -0.07  -0.02
    33   9     0.07  -0.18   0.02     0.05  -0.15   0.01    -0.04   0.11  -0.01
    34   9    -0.07   0.18   0.02     0.05  -0.15  -0.01    -0.04   0.12   0.01
    35   9     0.06  -0.01   0.02    -0.09   0.06  -0.01     0.08  -0.08   0.02
    36   1     0.18   0.04  -0.21     0.21   0.01  -0.20     0.20  -0.09  -0.10
    37   1     0.21   0.19  -0.01     0.24   0.20   0.01     0.22   0.05   0.07
    38   1     0.05  -0.01  -0.08     0.04  -0.06  -0.07     0.03  -0.18  -0.06
    39   1     0.04   0.12   0.01     0.01   0.09   0.01    -0.01  -0.06  -0.03
    40   1    -0.05   0.01   0.01    -0.07  -0.00  -0.01    -0.13  -0.05  -0.09
    41   1     0.06   0.07  -0.11     0.04   0.07  -0.09     0.02  -0.05  -0.03
    42   1     0.19   0.00  -0.05     0.16  -0.01  -0.04     0.03  -0.05  -0.02
    43   1     0.08  -0.03   0.04     0.06  -0.04   0.05     0.04  -0.03   0.06
    44   1    -0.06   0.11   0.03    -0.11   0.18   0.04    -0.14   0.05   0.12
    45   1     0.02   0.07   0.09     0.03   0.10   0.15    -0.00   0.05   0.16
    46   1    -0.03   0.03   0.00    -0.06   0.03  -0.01    -0.05   0.03   0.10
    47   1     0.05   0.06   0.06     0.01   0.03  -0.00    -0.09  -0.01  -0.14
    48   1     0.08   0.04   0.15     0.04   0.03   0.09    -0.06   0.00  -0.09
    49   1     0.10   0.17   0.02     0.08   0.08  -0.00     0.01  -0.14  -0.07
    50   1    -0.19  -0.00  -0.05     0.16  -0.01   0.04     0.03  -0.05   0.02
    51   1    -0.06  -0.07  -0.11     0.04   0.07   0.09     0.02  -0.05   0.03
    52   1    -0.08   0.03   0.04     0.06  -0.04  -0.05     0.05  -0.03  -0.06
    53   1     0.03  -0.03   0.00    -0.06   0.03   0.01    -0.05   0.03  -0.11
    54   1    -0.02  -0.07   0.09     0.03   0.10  -0.15    -0.01   0.06  -0.18
    55   1     0.06  -0.11   0.03    -0.11   0.18  -0.04    -0.15   0.06  -0.14
    56   1    -0.05   0.01  -0.08     0.04  -0.06   0.07     0.03  -0.20   0.06
    57   1    -0.04  -0.12   0.01     0.01   0.09  -0.01    -0.01  -0.07   0.04
    58   1    -0.21  -0.20  -0.01     0.24   0.20  -0.01     0.24   0.06  -0.08
    59   1    -0.18  -0.04  -0.21     0.21   0.01   0.20     0.21  -0.10   0.11
    60   1     0.05  -0.01   0.01    -0.07  -0.00   0.01    -0.14  -0.05   0.10
    61   1    -0.08  -0.04   0.15     0.04   0.03  -0.09    -0.07   0.00   0.09
    62   1    -0.05  -0.06   0.06     0.01   0.03   0.00    -0.09  -0.01   0.15
    63   1    -0.10  -0.17   0.02     0.08   0.08   0.00     0.01  -0.15   0.07
                     37                     38                     39
                      A                      A                      A
 Frequencies --    309.3359               322.3819               322.7662
 Red. masses --      4.5278                 1.9993                 2.0397
 Frc consts  --      0.2553                 0.1224                 0.1252
 IR Inten    --      0.2547                 0.5277                 1.7195
 RamAct Fr= 1--      0.9655                 0.1156                 0.3094
  Dep-P Fr= 1--      0.7291                 0.4199                 0.7492
  Dep-U Fr= 1--      0.8433                 0.5915                 0.8566
 Alpha2 Fr= 1--      0.0003                 0.0008                 0.0000
 Beta2  Fr= 1--      0.1357                 0.0114                 0.0442
 AlphaG Fr= 1--      0.0004                 0.0103                 0.0000
 Gamma2 Fr= 1--      1.1304                -0.2751                 0.3586
 Delta2 Fr= 1--      0.8581                -0.3153                 0.1235
 Raman1 Fr= 1--       3.862                  0.462                  1.238
 ROA1   Fr= 1--     135.973                -36.501                 38.380
 CID1   Fr= 1--      35.207                -78.936                 31.008
 Raman2 Fr= 1--       1.629                  0.137                  0.530
 ROA2   Fr= 1--      20.264                 -4.080                  7.619
 CID2   Fr= 1--      12.443                -29.834                 14.371
 Raman3 Fr= 1--       3.257                  0.274                  1.060
 ROA3   Fr= 1--     135.973                -36.501                 38.380
 CID3   Fr= 1--      41.746               -133.455                 36.198
 RC180  Fr= 1--       0.687                  0.183                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.08  -0.05    -0.09  -0.05  -0.05     0.11   0.05   0.06
     2   6     0.08   0.02  -0.02     0.01  -0.01   0.00    -0.02   0.01  -0.00
     3   6     0.07  -0.05   0.05     0.02  -0.02   0.05    -0.03   0.03  -0.06
     4   6     0.06  -0.06   0.03     0.03  -0.01   0.01    -0.03   0.02  -0.01
     5   6     0.02  -0.01   0.03     0.02  -0.00  -0.02    -0.02   0.01   0.02
     6   6    -0.12   0.03  -0.01     0.07   0.01   0.01    -0.07  -0.02  -0.01
     7   6     0.06   0.01   0.01     0.01   0.01  -0.01    -0.02  -0.01   0.01
     8   8     0.05  -0.07  -0.07     0.03  -0.02   0.02    -0.03   0.04  -0.01
     9  29     0.00   0.00   0.02     0.00  -0.00  -0.01     0.02  -0.00   0.00
    10   8    -0.00   0.03  -0.03     0.00   0.01   0.02    -0.01  -0.02  -0.02
    11   6     0.00  -0.01   0.00     0.01  -0.00   0.01    -0.01   0.00  -0.01
    12   6    -0.05  -0.02  -0.00    -0.00   0.01  -0.01     0.00  -0.00   0.02
    13   9    -0.07   0.04   0.02    -0.01   0.04   0.00     0.01  -0.05  -0.00
    14   6     0.03   0.03  -0.05    -0.00  -0.02   0.00    -0.01   0.02  -0.00
    15   6     0.07  -0.02   0.12    -0.01   0.07   0.03     0.01  -0.07  -0.04
    16   6    -0.02   0.02  -0.01    -0.04   0.00  -0.02     0.04  -0.00   0.02
    17   8    -0.06   0.08  -0.08    -0.03   0.02   0.02    -0.02   0.03   0.01
    18   6    -0.06   0.06   0.03    -0.03   0.02   0.01    -0.03   0.02   0.01
    19   6    -0.03   0.01   0.03    -0.03   0.00  -0.02    -0.02   0.00  -0.02
    20   6    -0.06  -0.01   0.01    -0.02  -0.01  -0.01    -0.02  -0.01  -0.01
    21   6    -0.08  -0.02  -0.03    -0.02   0.01   0.00    -0.02   0.01   0.00
    22   6    -0.07   0.06   0.05    -0.02   0.02   0.06    -0.02   0.02   0.06
    23   6     0.05  -0.09  -0.05     0.10   0.06  -0.06     0.09   0.05  -0.05
    24   6     0.13  -0.03  -0.02    -0.08  -0.02   0.01    -0.06  -0.02   0.01
    25   6     0.02  -0.02  -0.00     0.04  -0.00  -0.02     0.03  -0.00  -0.02
    26   6    -0.07   0.02   0.13     0.01  -0.07   0.04     0.01  -0.06   0.04
    27   6    -0.03  -0.03  -0.06     0.00   0.02   0.00    -0.01   0.02   0.00
    28   6     0.00   0.01   0.00    -0.01   0.00   0.01    -0.01   0.00   0.01
    29   6     0.05   0.02  -0.00     0.00  -0.01  -0.02     0.00  -0.00  -0.01
    30   9     0.08  -0.04   0.03     0.01  -0.05   0.00     0.01  -0.04   0.00
    31   8     0.00  -0.04  -0.03    -0.01  -0.01   0.02    -0.01  -0.02   0.01
    32   9     0.07  -0.08  -0.02    -0.01   0.03  -0.01    -0.00   0.02  -0.01
    33   9    -0.04   0.11  -0.01    -0.00  -0.01  -0.02    -0.00   0.00  -0.01
    34   9     0.03  -0.10  -0.01     0.00   0.01  -0.02    -0.00  -0.00   0.02
    35   9    -0.07   0.07  -0.01     0.01  -0.02  -0.01    -0.00   0.02   0.01
    36   1     0.20  -0.09  -0.11    -0.20   0.09   0.12    -0.17   0.08   0.11
    37   1     0.24   0.04   0.08    -0.15  -0.20  -0.01    -0.13  -0.18  -0.01
    38   1     0.06  -0.17  -0.11     0.12   0.18  -0.24     0.11   0.15  -0.22
    39   1     0.05  -0.05  -0.03     0.31   0.03   0.02     0.28   0.02   0.02
    40   1    -0.16  -0.05  -0.10    -0.04  -0.00  -0.01    -0.05  -0.01  -0.01
    41   1     0.03  -0.05  -0.05     0.06  -0.05  -0.06     0.05  -0.04  -0.05
    42   1     0.05  -0.04  -0.02     0.02   0.01  -0.01     0.02   0.01  -0.01
    43   1     0.07  -0.02   0.05     0.09   0.03  -0.01     0.08   0.03  -0.01
    44   1    -0.15   0.02   0.16     0.09  -0.28   0.08     0.07  -0.24   0.08
    45   1    -0.01   0.06   0.16    -0.06  -0.05  -0.14    -0.05  -0.04  -0.12
    46   1    -0.05   0.04   0.15     0.05   0.06   0.20     0.03   0.05   0.18
    47   1    -0.09  -0.01  -0.14     0.01   0.02   0.01    -0.00   0.02   0.01
    48   1    -0.06   0.00  -0.08     0.01   0.00   0.02     0.00   0.01   0.01
    49   1     0.02  -0.13  -0.07     0.00   0.05   0.00    -0.01   0.04  -0.00
    50   1    -0.05   0.04  -0.02    -0.02  -0.01  -0.01     0.02   0.01   0.01
    51   1    -0.03   0.04  -0.05    -0.05   0.04  -0.05     0.06  -0.05   0.06
    52   1    -0.06   0.02   0.05    -0.08  -0.03  -0.01     0.09   0.03   0.01
    53   1     0.04  -0.04   0.14    -0.04  -0.05   0.17     0.04   0.06  -0.20
    54   1     0.01  -0.05   0.15     0.05   0.05  -0.12    -0.06  -0.04   0.13
    55   1     0.14  -0.01   0.15    -0.08   0.25   0.07     0.08  -0.28  -0.09
    56   1    -0.06   0.16  -0.10    -0.10  -0.16  -0.21     0.12   0.17   0.25
    57   1    -0.05   0.05  -0.03    -0.27  -0.03   0.02     0.32   0.03  -0.02
    58   1    -0.22  -0.04   0.07     0.13   0.18  -0.01    -0.14  -0.20   0.01
    59   1    -0.18   0.08  -0.11     0.18  -0.08   0.11    -0.20   0.09  -0.12
    60   1     0.15   0.05  -0.09     0.03   0.00  -0.00    -0.05  -0.01   0.01
    61   1     0.05  -0.00  -0.07    -0.01  -0.00   0.02     0.00   0.01  -0.02
    62   1     0.08   0.01  -0.13    -0.01  -0.02   0.01     0.00   0.02  -0.01
    63   1    -0.01   0.12  -0.07    -0.00  -0.05   0.00    -0.00   0.05   0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --    369.2201               383.2182               394.0338
 Red. masses --      4.3712                 3.3183                 2.7927
 Frc consts  --      0.3511                 0.2871                 0.2555
 IR Inten    --      0.0960                 5.9168                 0.0328
 RamAct Fr= 1--      8.9704                 0.3960                 2.7150
  Dep-P Fr= 1--      0.0544                 0.7500                 0.0563
  Dep-U Fr= 1--      0.1031                 0.8571                 0.1066
 Alpha2 Fr= 1--      0.1754                 0.0000                 0.0528
 Beta2  Fr= 1--      0.1542                 0.0566                 0.0482
 AlphaG Fr= 1--      0.1202                -0.0000                 0.0596
 Gamma2 Fr= 1--      1.7536                -1.7863                 0.0571
 Delta2 Fr= 1--      0.5729                -0.2375                 0.3105
 Raman1 Fr= 1--      35.882                  1.584                 10.860
 ROA1   Fr= 1--     186.678               -179.082                 15.414
 CID1   Fr= 1--       5.203               -113.056                  1.419
 Raman2 Fr= 1--       1.850                  0.679                  0.579
 ROA2   Fr= 1--      37.503                -40.971                 -1.115
 CID2   Fr= 1--      20.267                -60.353                 -1.926
 Raman3 Fr= 1--       3.701                  1.358                  1.158
 ROA3   Fr= 1--     186.678               -179.082                 15.414
 CID3   Fr= 1--      50.443               -131.902                 13.315
 RC180  Fr= 1--      -0.794                  0.714                 -0.787
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.06   0.00    -0.00  -0.06  -0.01    -0.02   0.00  -0.05
     2   6     0.01  -0.03  -0.02    -0.02   0.04   0.02    -0.03  -0.02  -0.05
     3   6     0.02  -0.05  -0.04    -0.03   0.05   0.04    -0.04   0.00  -0.05
     4   6    -0.01  -0.10  -0.01    -0.01   0.07  -0.00    -0.02   0.00  -0.03
     5   6    -0.05  -0.06   0.04     0.03   0.06  -0.06     0.00  -0.02  -0.02
     6   6     0.01   0.04   0.10     0.00  -0.03  -0.10    -0.01  -0.00  -0.03
     7   6    -0.04  -0.05   0.02     0.03   0.06  -0.03     0.01  -0.03  -0.01
     8   8    -0.03  -0.18  -0.03    -0.01   0.09   0.02    -0.02   0.02   0.01
     9  29    -0.00  -0.00   0.01    -0.02  -0.04   0.00    -0.00  -0.00   0.00
    10   8     0.00  -0.05  -0.02    -0.01  -0.02  -0.00    -0.04  -0.06  -0.01
    11   6     0.00  -0.03  -0.02    -0.01   0.02   0.02    -0.03  -0.01  -0.02
    12   6     0.01   0.03   0.01    -0.00  -0.01  -0.01     0.01   0.01   0.00
    13   9     0.03   0.03   0.00    -0.02  -0.01   0.00     0.03  -0.01  -0.01
    14   6     0.08   0.00  -0.07    -0.05   0.00   0.06     0.00  -0.04  -0.01
    15   6    -0.06  -0.00  -0.08     0.07  -0.00   0.13    -0.00   0.01   0.16
    16   6    -0.02   0.03   0.06     0.06  -0.01  -0.05     0.12   0.07   0.05
    17   8     0.03   0.18  -0.03    -0.01   0.09  -0.02     0.02  -0.02   0.01
    18   6     0.01   0.10  -0.01    -0.01   0.07   0.00     0.02  -0.00  -0.03
    19   6     0.05   0.06   0.04     0.03   0.06   0.06    -0.00   0.02  -0.02
    20   6     0.04   0.05   0.02     0.03   0.06   0.03    -0.01   0.03  -0.01
    21   6    -0.01   0.03  -0.02    -0.02   0.04  -0.02     0.03   0.02  -0.06
    22   6    -0.02   0.06  -0.04    -0.03   0.05  -0.04     0.04  -0.00  -0.06
    23   6    -0.00  -0.06   0.00     0.00  -0.06   0.01     0.02  -0.00  -0.05
    24   6    -0.01  -0.04   0.10     0.00  -0.03   0.10     0.01   0.00  -0.03
    25   6     0.02  -0.03   0.06     0.06  -0.01   0.05    -0.12  -0.07   0.05
    26   6     0.06   0.00  -0.08     0.07  -0.00  -0.13     0.00  -0.01   0.16
    27   6    -0.08  -0.00  -0.07    -0.05   0.00  -0.06    -0.00   0.04  -0.01
    28   6    -0.00   0.03  -0.02    -0.01   0.02  -0.02     0.03   0.01  -0.02
    29   6    -0.01  -0.03   0.01    -0.00  -0.01   0.01    -0.01  -0.01   0.01
    30   9    -0.03  -0.03   0.00    -0.02  -0.01  -0.00    -0.03   0.01  -0.01
    31   8    -0.00   0.05  -0.02    -0.01  -0.02   0.00     0.04   0.06  -0.01
    32   9    -0.02  -0.04   0.02    -0.02  -0.03   0.02    -0.02  -0.00   0.02
    33   9     0.06  -0.10   0.02     0.03  -0.05   0.01     0.03  -0.04   0.01
    34   9    -0.06   0.10   0.02     0.03  -0.05  -0.01    -0.03   0.04   0.01
    35   9     0.02   0.04   0.02    -0.02  -0.03  -0.02     0.02   0.00   0.02
    36   1    -0.02  -0.05   0.23     0.01  -0.05   0.20     0.01   0.01  -0.02
    37   1    -0.06  -0.14   0.07    -0.02  -0.10   0.10     0.02  -0.01  -0.02
    38   1     0.00  -0.06  -0.02     0.01  -0.06  -0.02     0.02  -0.01  -0.03
    39   1     0.02  -0.12  -0.02     0.02  -0.11  -0.01     0.01  -0.01  -0.06
    40   1    -0.05   0.02  -0.07    -0.04   0.03  -0.06     0.05   0.04  -0.10
    41   1     0.04  -0.10   0.10     0.09  -0.08   0.05    -0.11  -0.12   0.22
    42   1    -0.05  -0.08  -0.01     0.03  -0.06  -0.01    -0.25  -0.13  -0.04
    43   1     0.05  -0.02   0.10     0.12   0.00   0.12    -0.16  -0.10   0.03
    44   1     0.15  -0.00  -0.11     0.21   0.02  -0.19    -0.11  -0.13   0.24
    45   1    -0.00  -0.03  -0.13    -0.03  -0.07  -0.19     0.03   0.01   0.18
    46   1     0.04  -0.01  -0.10     0.03  -0.04  -0.17     0.13   0.07   0.26
    47   1    -0.12  -0.01  -0.12    -0.09   0.03  -0.14     0.00   0.03  -0.00
    48   1    -0.15   0.10  -0.20    -0.10   0.07  -0.18    -0.00   0.03  -0.01
    49   1    -0.11  -0.20  -0.04    -0.06  -0.19  -0.05    -0.01   0.05  -0.01
    50   1     0.05   0.08  -0.01     0.03  -0.06   0.01     0.25   0.13  -0.04
    51   1    -0.04   0.10   0.10     0.09  -0.08  -0.05     0.11   0.12   0.22
    52   1    -0.05   0.02   0.10     0.12   0.00  -0.12     0.15   0.10   0.03
    53   1    -0.04   0.01  -0.10     0.03  -0.04   0.17    -0.13  -0.07   0.25
    54   1     0.00   0.03  -0.13    -0.03  -0.07   0.19    -0.03  -0.01   0.18
    55   1    -0.15   0.00  -0.11     0.21   0.02   0.19     0.11   0.13   0.24
    56   1    -0.00   0.06  -0.02     0.01  -0.06   0.02    -0.02   0.01  -0.03
    57   1    -0.02   0.12  -0.02     0.02  -0.11   0.01    -0.01   0.01  -0.06
    58   1     0.06   0.14   0.07    -0.02  -0.10  -0.10    -0.02   0.01  -0.02
    59   1     0.02   0.05   0.23     0.01  -0.05  -0.20    -0.01  -0.01  -0.02
    60   1     0.05  -0.02  -0.07    -0.04   0.03   0.06    -0.05  -0.04  -0.09
    61   1     0.15  -0.10  -0.20    -0.10   0.07   0.18     0.00  -0.03  -0.01
    62   1     0.12   0.01  -0.11    -0.09   0.03   0.14    -0.00  -0.03  -0.00
    63   1     0.11   0.20  -0.04    -0.06  -0.19   0.05     0.00  -0.05  -0.01
                     43                     44                     45
                      A                      A                      A
 Frequencies --    394.6257               425.5768               446.2836
 Red. masses --      2.8783                 3.5301                 5.2212
 Frc consts  --      0.2641                 0.3767                 0.6127
 IR Inten    --      0.1958                 0.0127                 0.0923
 RamAct Fr= 1--      0.0499                 2.3787                16.0759
  Dep-P Fr= 1--      0.7490                 0.5484                 0.2824
  Dep-U Fr= 1--      0.8565                 0.7083                 0.4404
 Alpha2 Fr= 1--      0.0000                 0.0092                 0.1737
 Beta2  Fr= 1--      0.0071                 0.2808                 1.1800
 AlphaG Fr= 1--      0.0000                 0.0139                -0.2844
 Gamma2 Fr= 1--     -0.4770                 0.2970                 7.3493
 Delta2 Fr= 1--     -0.5469                -0.7275                 4.7685
 Raman1 Fr= 1--       0.199                  9.515                 64.303
 ROA1   Fr= 1--     -63.291                  5.236                858.125
 CID1   Fr= 1--    -317.390                  0.550                 13.345
 Raman2 Fr= 1--       0.085                  3.370                 14.159
 ROA2   Fr= 1--      -7.073                 12.949                138.235
 CID2   Fr= 1--     -82.817                  3.843                  9.763
 Raman3 Fr= 1--       0.171                  6.739                 28.319
 ROA3   Fr= 1--     -63.291                  5.236                858.125
 CID3   Fr= 1--    -370.558                  0.777                 30.302
 RC180  Fr= 1--       0.713                  0.417                 -0.119
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01  -0.05     0.02  -0.02   0.03     0.04   0.06   0.04
     2   6    -0.02  -0.03  -0.07    -0.00   0.06   0.05    -0.01  -0.02  -0.01
     3   6    -0.04  -0.01  -0.07     0.00  -0.01   0.07    -0.07  -0.05   0.12
     4   6    -0.01  -0.02  -0.02    -0.04  -0.03  -0.02     0.02  -0.00   0.07
     5   6     0.00  -0.05  -0.00    -0.06   0.06  -0.09     0.06   0.00   0.02
     6   6    -0.02   0.00  -0.00     0.03   0.01  -0.07     0.01   0.04   0.02
     7   6     0.01  -0.05  -0.01    -0.03   0.10  -0.04     0.09   0.01  -0.04
     8   8    -0.01   0.01   0.00    -0.08  -0.14   0.00     0.04   0.05  -0.02
     9  29     0.01   0.01   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    10   8    -0.04  -0.05  -0.01     0.02  -0.07  -0.01    -0.11  -0.18  -0.04
    11   6    -0.03  -0.02  -0.02     0.01  -0.02   0.03    -0.09  -0.05   0.05
    12   6     0.01   0.01   0.01     0.00   0.00  -0.00    -0.01   0.00   0.00
    13   9     0.04  -0.01  -0.02    -0.02   0.03   0.02     0.05   0.04  -0.02
    14   6     0.01  -0.05  -0.03     0.02   0.04   0.05    -0.01  -0.00  -0.01
    15   6    -0.02   0.01   0.13     0.02  -0.04   0.05     0.10   0.05  -0.01
    16   6     0.11   0.08   0.07     0.05  -0.02  -0.06    -0.05  -0.01  -0.12
    17   8    -0.01   0.01  -0.00     0.08   0.14   0.00    -0.04  -0.05  -0.02
    18   6    -0.01  -0.02   0.02     0.04   0.03  -0.02    -0.03   0.00   0.07
    19   6     0.00  -0.05   0.00     0.06  -0.06  -0.09    -0.06  -0.00   0.02
    20   6     0.01  -0.05   0.00     0.04  -0.10  -0.04    -0.09  -0.01  -0.04
    21   6    -0.02  -0.03   0.06     0.00  -0.06   0.05     0.01   0.02  -0.01
    22   6    -0.04  -0.01   0.07    -0.00   0.01   0.07     0.07   0.05   0.12
    23   6    -0.02   0.01   0.05    -0.02   0.02   0.03    -0.04  -0.06   0.04
    24   6    -0.02   0.00   0.00    -0.03  -0.01  -0.07    -0.01  -0.04   0.02
    25   6     0.11   0.08  -0.07    -0.05   0.02  -0.06     0.06   0.01  -0.12
    26   6    -0.02   0.01  -0.13    -0.02   0.04   0.05    -0.11  -0.06  -0.01
    27   6     0.01  -0.05   0.03    -0.02  -0.04   0.05     0.01   0.00  -0.01
    28   6    -0.03  -0.02   0.02    -0.01   0.02   0.03     0.10   0.05   0.05
    29   6     0.01   0.01  -0.01    -0.00  -0.00  -0.00     0.01  -0.00   0.00
    30   9     0.04  -0.01   0.01     0.02  -0.03   0.02    -0.06  -0.04  -0.02
    31   8    -0.04  -0.05   0.01    -0.02   0.07  -0.01     0.11   0.19  -0.05
    32   9     0.03   0.01  -0.03     0.02   0.00  -0.02    -0.03   0.03   0.04
    33   9    -0.03   0.05  -0.01     0.01  -0.02  -0.02     0.05  -0.05  -0.03
    34   9    -0.03   0.05   0.01    -0.01   0.02  -0.02    -0.05   0.05  -0.03
    35   9     0.03   0.01   0.03    -0.02  -0.00  -0.02     0.02  -0.03   0.04
    36   1    -0.02   0.00  -0.02    -0.08   0.02  -0.02     0.04  -0.08  -0.00
    37   1    -0.03   0.04  -0.01    -0.11  -0.01  -0.15     0.02   0.00   0.04
    38   1    -0.02   0.03   0.04    -0.02   0.04   0.06    -0.06  -0.10   0.21
    39   1    -0.02   0.04   0.07    -0.04   0.06   0.04    -0.20  -0.10  -0.06
    40   1    -0.04  -0.06   0.12    -0.03  -0.10   0.13    -0.01   0.01  -0.05
    41   1     0.08   0.15  -0.24    -0.10   0.13  -0.03     0.07  -0.01  -0.29
    42   1     0.25   0.16   0.05    -0.02   0.10   0.04     0.16   0.03  -0.09
    43   1     0.12   0.10  -0.08    -0.15   0.01  -0.20     0.15   0.04  -0.03
    44   1     0.06   0.14  -0.21    -0.16   0.10   0.08    -0.12  -0.08   0.00
    45   1    -0.02   0.02  -0.14     0.14   0.16   0.10    -0.13  -0.10   0.03
    46   1    -0.15  -0.06  -0.22    -0.10   0.06   0.06    -0.03  -0.07  -0.02
    47   1     0.02  -0.06   0.05    -0.02  -0.19   0.17     0.01   0.07  -0.07
    48   1     0.02  -0.05   0.06    -0.07   0.04   0.09     0.04  -0.05  -0.00
    49   1     0.01  -0.01   0.03    -0.08   0.08   0.07     0.05  -0.02  -0.03
    50   1     0.25   0.16  -0.05     0.02  -0.10   0.04    -0.15  -0.03  -0.08
    51   1     0.08   0.15   0.24     0.10  -0.13  -0.03    -0.06   0.01  -0.29
    52   1     0.12   0.10   0.08     0.15  -0.01  -0.20    -0.14  -0.04  -0.04
    53   1    -0.16  -0.06   0.23     0.10  -0.06   0.06     0.03   0.06  -0.02
    54   1    -0.02   0.02   0.14    -0.14  -0.16   0.10     0.13   0.09   0.03
    55   1     0.06   0.14   0.21     0.16  -0.10   0.08     0.12   0.07   0.00
    56   1    -0.02   0.03  -0.04     0.02  -0.04   0.06     0.06   0.10   0.21
    57   1    -0.02   0.04  -0.07     0.04  -0.06   0.04     0.19   0.10  -0.06
    58   1    -0.03   0.04   0.01     0.11   0.01  -0.15    -0.02  -0.00   0.04
    59   1    -0.02   0.00   0.02     0.08  -0.02  -0.02    -0.03   0.08  -0.00
    60   1    -0.04  -0.06  -0.12     0.03   0.10   0.13     0.01  -0.01  -0.05
    61   1     0.02  -0.05  -0.06     0.07  -0.04   0.10    -0.04   0.05  -0.00
    62   1     0.02  -0.06  -0.05     0.02   0.19   0.17    -0.01  -0.06  -0.06
    63   1     0.01  -0.01  -0.03     0.08  -0.08   0.07    -0.05   0.02  -0.03
                     46                     47                     48
                      A                      A                      A
 Frequencies --    446.9716               455.5004               490.5665
 Red. masses --      3.7092                 5.3193                 6.3987
 Frc consts  --      0.4366                 0.6503                 0.9073
 IR Inten    --     25.5678                 5.1787                 0.0007
 RamAct Fr= 1--      0.9782                 1.0692                12.3959
  Dep-P Fr= 1--      0.7471                 0.7500                 0.1007
  Dep-U Fr= 1--      0.8553                 0.8571                 0.1830
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.2167
 Beta2  Fr= 1--      0.1394                 0.1527                 0.3780
 AlphaG Fr= 1--     -0.0001                -0.0000                 0.0048
 Gamma2 Fr= 1--     -7.6532                 7.7675                -1.4525
 Delta2 Fr= 1--     -2.7604                -1.2595                -0.5013
 Raman1 Fr= 1--       3.913                  4.277                 49.584
 ROA1   Fr= 1--    -823.041                705.376               -155.480
 CID1   Fr= 1--    -210.349                164.934                 -3.136
 Raman2 Fr= 1--       1.673                  1.833                  4.536
 ROA2   Fr= 1--    -161.593                196.496                -30.849
 CID2   Fr= 1--     -96.577                107.206                 -6.800
 Raman3 Fr= 1--       3.346                  3.666                  9.073
 ROA3   Fr= 1--    -823.041                705.376               -155.480
 CID3   Fr= 1--    -245.949                192.423                -17.137
 RC180  Fr= 1--       0.711                  0.714                 -0.634
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.04   0.01    -0.05  -0.07  -0.04    -0.04  -0.09   0.01
     2   6    -0.00  -0.04  -0.03     0.01  -0.03  -0.02     0.02   0.01   0.03
     3   6    -0.05  -0.01   0.04     0.03   0.08  -0.17    -0.00   0.05  -0.18
     4   6     0.03   0.03   0.06     0.03   0.07  -0.03     0.03   0.03  -0.03
     5   6     0.08  -0.03   0.07     0.05  -0.01   0.08     0.04   0.05   0.08
     6   6    -0.01   0.01   0.05    -0.03  -0.07   0.03    -0.02  -0.06   0.02
     7   6     0.10  -0.05  -0.01     0.01  -0.06   0.07     0.06   0.05   0.05
     8   8     0.06   0.12  -0.01     0.04   0.11   0.01     0.01  -0.04  -0.00
     9  29    -0.04  -0.03   0.00    -0.03  -0.07   0.00     0.00   0.00   0.00
    10   8    -0.07  -0.10  -0.02     0.07   0.10   0.04     0.02  -0.21   0.02
    11   6    -0.06  -0.02   0.01     0.06   0.07  -0.08     0.02  -0.01  -0.13
    12   6    -0.00   0.00   0.00     0.01   0.01  -0.01     0.03   0.02  -0.04
    13   9     0.03   0.01  -0.02    -0.06  -0.07   0.01    -0.10  -0.06  -0.00
    14   6    -0.02  -0.02  -0.03    -0.03   0.00  -0.00    -0.03   0.09   0.05
    15   6     0.09   0.07  -0.02    -0.02   0.02  -0.02     0.11   0.06   0.00
    16   6    -0.07   0.00  -0.06    -0.02   0.01   0.11    -0.03  -0.01   0.01
    17   8     0.05   0.12   0.01     0.04   0.11  -0.01    -0.01   0.04  -0.00
    18   6     0.03   0.03  -0.06     0.03   0.07   0.03    -0.03  -0.03  -0.03
    19   6     0.08  -0.03  -0.06     0.05  -0.01  -0.08    -0.04  -0.05   0.08
    20   6     0.10  -0.05   0.01     0.01  -0.06  -0.07    -0.06  -0.05   0.05
    21   6    -0.00  -0.04   0.03     0.01  -0.03   0.02    -0.02  -0.01   0.03
    22   6    -0.05  -0.01  -0.04     0.03   0.08   0.17     0.00  -0.05  -0.18
    23   6     0.02   0.04  -0.01    -0.05  -0.07   0.04     0.04   0.09   0.01
    24   6    -0.01   0.01  -0.05    -0.03  -0.07  -0.03     0.02   0.06   0.02
    25   6    -0.07   0.00   0.06    -0.02   0.01  -0.11     0.03   0.01   0.01
    26   6     0.09   0.07   0.02    -0.03   0.02   0.02    -0.11  -0.06   0.00
    27   6    -0.02  -0.02   0.03    -0.03   0.00   0.00     0.03  -0.09   0.05
    28   6    -0.06  -0.02  -0.01     0.06   0.07   0.08    -0.02   0.01  -0.13
    29   6    -0.00   0.00  -0.00     0.01   0.01   0.01    -0.03  -0.02  -0.04
    30   9     0.03   0.01   0.02    -0.06  -0.07  -0.01     0.10   0.06  -0.00
    31   8    -0.07  -0.09   0.02     0.07   0.10  -0.04    -0.02   0.21   0.02
    32   9     0.02  -0.02  -0.02    -0.01   0.03   0.04    -0.03  -0.07  -0.06
    33   9    -0.02   0.02   0.01     0.05  -0.05  -0.06     0.01  -0.02   0.12
    34   9    -0.02   0.02  -0.01     0.05  -0.05   0.06    -0.01   0.02   0.12
    35   9     0.02  -0.02   0.02    -0.01   0.03  -0.04     0.03   0.07  -0.06
    36   1    -0.06   0.05   0.00    -0.04  -0.07   0.08    -0.00   0.09  -0.09
    37   1    -0.07  -0.02  -0.11    -0.11  -0.07  -0.11     0.07   0.09   0.07
    38   1     0.03   0.07  -0.10    -0.07  -0.08   0.21     0.06   0.11  -0.15
    39   1     0.10   0.08   0.06    -0.19  -0.08  -0.03     0.18   0.12   0.09
    40   1    -0.02  -0.07   0.10    -0.07  -0.08   0.04     0.04   0.01   0.08
    41   1    -0.11   0.08   0.23    -0.05   0.08  -0.11     0.04  -0.00  -0.14
    42   1    -0.14   0.03   0.09     0.01   0.06  -0.04     0.10   0.05   0.08
    43   1    -0.21  -0.03  -0.09    -0.08   0.00  -0.19     0.10   0.06   0.04
    44   1     0.02   0.12   0.03    -0.17   0.05   0.07    -0.05  -0.04  -0.03
    45   1     0.19   0.16   0.03     0.10   0.10   0.09    -0.14  -0.06  -0.03
    46   1    -0.02   0.08   0.04    -0.04   0.04   0.04    -0.15  -0.07  -0.01
    47   1    -0.03  -0.17   0.14    -0.05  -0.12   0.08     0.03  -0.03   0.00
    48   1    -0.09   0.07   0.03    -0.09   0.09   0.00     0.07  -0.15   0.06
    49   1    -0.10   0.04   0.06    -0.09   0.04   0.02     0.07  -0.10   0.03
    50   1    -0.15   0.02  -0.09     0.01   0.06   0.04    -0.10  -0.05   0.08
    51   1    -0.11   0.08  -0.23    -0.05   0.08   0.11    -0.04   0.00  -0.14
    52   1    -0.21  -0.04   0.09    -0.08   0.00   0.19    -0.10  -0.06   0.04
    53   1    -0.01   0.08  -0.04    -0.04   0.04  -0.04     0.15   0.07  -0.01
    54   1     0.20   0.17  -0.03     0.10   0.10  -0.09     0.14   0.06  -0.03
    55   1     0.02   0.12  -0.03    -0.17   0.05  -0.07     0.05   0.04  -0.03
    56   1     0.03   0.07   0.10    -0.07  -0.08  -0.21    -0.06  -0.11  -0.15
    57   1     0.10   0.08  -0.06    -0.19  -0.07   0.03    -0.18  -0.12   0.09
    58   1    -0.07  -0.02   0.11    -0.11  -0.07   0.11    -0.07  -0.09   0.07
    59   1    -0.06   0.05  -0.00    -0.04  -0.07  -0.08     0.00  -0.09  -0.09
    60   1    -0.02  -0.07  -0.10    -0.07  -0.08  -0.04    -0.04  -0.01   0.08
    61   1    -0.09   0.07  -0.03    -0.09   0.09  -0.00    -0.07   0.15   0.06
    62   1    -0.03  -0.17  -0.14    -0.05  -0.12  -0.08    -0.03   0.03   0.00
    63   1    -0.10   0.04  -0.06    -0.09   0.04  -0.02    -0.07   0.10   0.03
                     49                     50                     51
                      A                      A                      A
 Frequencies --    501.3433               502.8407               518.0185
 Red. masses --      7.0615                10.7200                15.8081
 Frc consts  --      1.0457                 1.5970                 2.4993
 IR Inten    --      7.2304                 0.0293                 8.9198
 RamAct Fr= 1--      0.9531                 2.6577                 0.1425
  Dep-P Fr= 1--      0.7500                 0.7269                 0.7014
  Dep-U Fr= 1--      0.8571                 0.8418                 0.8245
 Alpha2 Fr= 1--      0.0000                 0.0011                 0.0001
 Beta2  Fr= 1--      0.1362                 0.3729                 0.0196
 AlphaG Fr= 1--      0.0000                 0.0052                 0.0002
 Gamma2 Fr= 1--     -4.6349                 3.9635                -4.0028
 Delta2 Fr= 1--     -2.9158                 1.8604                -0.1234
 Raman1 Fr= 1--       3.812                 10.631                  0.570
 ROA1   Fr= 1--    -538.259                440.030               -388.217
 CID1   Fr= 1--    -141.186                 41.393               -680.890
 Raman2 Fr= 1--       1.634                  4.475                  0.235
 ROA2   Fr= 1--     -87.911                 80.241                -95.080
 CID2   Fr= 1--     -53.805                 17.932               -404.519
 Raman3 Fr= 1--       3.268                  8.949                  0.470
 ROA3   Fr= 1--    -538.259                440.030               -388.217
 CID3   Fr= 1--    -164.717                 49.170               -825.836
 RC180  Fr= 1--       0.714                  0.684                  0.649
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.08  -0.04     0.04   0.04  -0.03    -0.01   0.01  -0.01
     2   6    -0.01  -0.02  -0.05    -0.01  -0.02  -0.05     0.00  -0.01  -0.00
     3   6     0.01   0.01   0.15    -0.00   0.05   0.10     0.01  -0.02  -0.02
     4   6    -0.02   0.02   0.03    -0.07   0.02   0.04     0.06   0.03  -0.03
     5   6     0.00  -0.06  -0.05    -0.00  -0.08  -0.00     0.04   0.04  -0.01
     6   6     0.01   0.04  -0.02     0.01   0.00   0.02     0.00   0.02  -0.04
     7   6    -0.04  -0.10  -0.02     0.02  -0.09  -0.02    -0.02  -0.02   0.03
     8   8    -0.00   0.12   0.01    -0.06   0.12   0.00     0.06  -0.00   0.01
     9  29    -0.02  -0.04  -0.00    -0.00  -0.00   0.00     0.05  -0.12   0.00
    10   8     0.07   0.09  -0.05     0.17  -0.16  -0.05    -0.13   0.33   0.03
    11   6     0.06   0.01   0.15     0.15  -0.03   0.09    -0.12   0.06   0.05
    12   6     0.03   0.01   0.07     0.11   0.03   0.05    -0.16  -0.05   0.03
    13   9     0.02   0.02   0.12    -0.12  -0.03   0.21     0.23   0.09  -0.17
    14   6     0.02  -0.11  -0.05     0.01  -0.11  -0.05    -0.01   0.04   0.02
    15   6    -0.12  -0.05  -0.02    -0.03  -0.01  -0.01    -0.04  -0.01  -0.01
    16   6     0.01   0.01   0.04    -0.01   0.01  -0.01    -0.00  -0.01   0.06
    17   8    -0.00   0.12  -0.01     0.06  -0.12   0.00     0.05  -0.00  -0.01
    18   6    -0.02   0.02  -0.03     0.07  -0.02   0.04     0.05   0.03   0.02
    19   6     0.00  -0.07   0.05     0.00   0.08  -0.00     0.04   0.04   0.01
    20   6    -0.04  -0.10   0.02    -0.02   0.08  -0.02    -0.02  -0.02  -0.02
    21   6    -0.01  -0.02   0.06     0.01   0.02  -0.05     0.00  -0.02   0.01
    22   6     0.01   0.01  -0.15     0.00  -0.05   0.09     0.01  -0.02   0.01
    23   6     0.04   0.08   0.04    -0.04  -0.04  -0.03    -0.00   0.01   0.01
    24   6     0.01   0.04   0.02    -0.01  -0.00   0.02     0.00   0.02   0.03
    25   6     0.01   0.01  -0.04     0.01  -0.01  -0.01     0.00  -0.01  -0.05
    26   6    -0.12  -0.05   0.02     0.02   0.01  -0.01    -0.04  -0.01   0.01
    27   6     0.02  -0.11   0.05    -0.01   0.11  -0.05    -0.01   0.04  -0.01
    28   6     0.06   0.01  -0.15    -0.15   0.03   0.08    -0.12   0.07  -0.05
    29   6     0.03   0.01  -0.07    -0.11  -0.03   0.05    -0.16  -0.05  -0.02
    30   9     0.02   0.02  -0.12     0.12   0.03   0.20     0.22   0.09   0.17
    31   8     0.07   0.09   0.05    -0.17   0.16  -0.05    -0.13   0.34  -0.03
    32   9    -0.12  -0.07   0.06     0.14   0.01  -0.20     0.03  -0.06  -0.28
    33   9     0.08   0.04   0.12    -0.12  -0.11  -0.03    -0.10  -0.16   0.15
    34   9     0.08   0.04  -0.12     0.12   0.11  -0.03    -0.10  -0.15  -0.15
    35   9    -0.12  -0.07  -0.06    -0.14  -0.01  -0.21     0.02  -0.07   0.28
    36   1    -0.02   0.09  -0.04     0.01  -0.03   0.12    -0.02   0.03   0.12
    37   1     0.02   0.05   0.02    -0.03  -0.04   0.02    -0.05  -0.04  -0.00
    38   1     0.06   0.10  -0.09    -0.04  -0.06   0.04    -0.00   0.00   0.00
    39   1     0.15   0.11   0.11    -0.10  -0.08  -0.09     0.00   0.00   0.01
    40   1    -0.00  -0.04   0.14     0.05   0.06  -0.12     0.02  -0.01   0.02
    41   1     0.00   0.03  -0.19     0.03  -0.07   0.02     0.00  -0.01  -0.09
    42   1     0.09   0.09   0.08    -0.02  -0.08  -0.11     0.02   0.00  -0.03
    43   1     0.04   0.06  -0.07     0.05  -0.03   0.09     0.02   0.00  -0.03
    44   1    -0.13  -0.02   0.01     0.03  -0.04   0.01    -0.08  -0.02   0.03
    45   1    -0.07  -0.00   0.01    -0.03  -0.04  -0.00    -0.00   0.01   0.02
    46   1    -0.19  -0.05   0.02     0.10   0.02   0.01    -0.04   0.00   0.03
    47   1     0.01  -0.13   0.05    -0.01   0.15  -0.09    -0.03   0.01  -0.02
    48   1     0.01  -0.10   0.06    -0.00   0.10  -0.08    -0.04   0.07  -0.04
    49   1     0.02  -0.12   0.05     0.01   0.07  -0.05    -0.02  -0.00  -0.01
    50   1     0.09   0.09  -0.08     0.02   0.09  -0.11     0.02  -0.00   0.05
    51   1     0.00   0.03   0.19    -0.03   0.07   0.02     0.00  -0.02   0.11
    52   1     0.04   0.06   0.07    -0.05   0.03   0.09     0.03   0.00   0.04
    53   1    -0.19  -0.05  -0.02    -0.11  -0.02   0.01    -0.04   0.01  -0.03
    54   1    -0.07  -0.00  -0.01     0.03   0.04  -0.00    -0.01   0.01  -0.02
    55   1    -0.13  -0.02  -0.01    -0.04   0.04   0.01    -0.09  -0.02  -0.03
    56   1     0.05   0.10   0.09     0.04   0.06   0.04    -0.01   0.00  -0.01
    57   1     0.15   0.11  -0.11     0.10   0.08  -0.09    -0.00   0.00  -0.01
    58   1     0.02   0.05  -0.02     0.03   0.04   0.02    -0.06  -0.04  -0.00
    59   1    -0.02   0.09   0.04    -0.01   0.03   0.12    -0.02   0.03  -0.14
    60   1    -0.00  -0.03  -0.14    -0.05  -0.06  -0.12     0.02  -0.00  -0.02
    61   1     0.01  -0.10  -0.06     0.00  -0.10  -0.08    -0.04   0.08   0.04
    62   1     0.01  -0.13  -0.05     0.01  -0.16  -0.09    -0.03   0.02   0.02
    63   1     0.02  -0.12  -0.05    -0.01  -0.07  -0.06    -0.02  -0.01   0.01
                     52                     53                     54
                      A                      A                      A
 Frequencies --    518.5098               524.1124               533.2607
 Red. masses --      5.2589                 6.0417                 7.3607
 Frc consts  --      0.8330                 0.9778                 1.2332
 IR Inten    --      1.0439                17.4483                 3.5004
 RamAct Fr= 1--     13.1139                 0.2483                 2.0289
  Dep-P Fr= 1--      0.0689                 0.7500                 0.1524
  Dep-U Fr= 1--      0.1288                 0.8571                 0.2645
 Alpha2 Fr= 1--      0.2476                 0.0000                 0.0312
 Beta2  Fr= 1--      0.2816                 0.0355                 0.0895
 AlphaG Fr= 1--      0.4892                -0.0000                -0.0660
 Gamma2 Fr= 1--      1.6910                 0.4534                -0.1713
 Delta2 Fr= 1--      0.5381                 0.3882                 0.3494
 Raman1 Fr= 1--      52.456                  0.993                  8.115
 ROA1   Fr= 1--     179.557                 55.950                 -5.267
 CID1   Fr= 1--       3.423                 56.324                 -0.649
 Raman2 Fr= 1--       3.379                  0.426                  1.073
 ROA2   Fr= 1--      36.280                  7.776                 -6.907
 CID2   Fr= 1--      10.737                 18.265                 -6.435
 Raman3 Fr= 1--       6.758                  0.851                  2.147
 ROA3   Fr= 1--     179.557                 55.950                 -5.267
 CID3   Fr= 1--      26.569                 65.712                 -2.453
 RC180  Fr= 1--      -0.742                  0.714                 -0.471
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01  -0.03     0.03   0.01   0.02     0.02   0.08  -0.03
     2   6     0.03   0.02   0.02    -0.03  -0.03  -0.03     0.02   0.03   0.01
     3   6     0.03  -0.02  -0.06    -0.02   0.02   0.12     0.02  -0.06   0.18
     4   6     0.11   0.02  -0.08    -0.10  -0.01   0.10     0.07  -0.01   0.04
     5   6     0.07   0.07  -0.03    -0.06  -0.07   0.01     0.03   0.01  -0.10
     6   6    -0.00   0.03  -0.09     0.01  -0.01   0.07     0.03   0.08  -0.10
     7   6    -0.05   0.01   0.08     0.02  -0.03  -0.09    -0.08  -0.00   0.02
     8   8     0.12   0.00   0.03    -0.10   0.03  -0.03     0.10   0.08   0.02
     9  29    -0.00   0.00   0.00     0.04  -0.03  -0.00    -0.00  -0.00  -0.01
    10   8    -0.03  -0.11  -0.04     0.03   0.17   0.04     0.00  -0.08   0.01
    11   6    -0.02  -0.03   0.05     0.02   0.05  -0.03     0.01  -0.03  -0.03
    12   6    -0.00  -0.01   0.06     0.00   0.01  -0.07     0.01   0.01  -0.10
    13   9     0.07   0.03   0.07    -0.08  -0.03  -0.08    -0.12  -0.01  -0.08
    14   6    -0.01   0.05   0.02     0.01  -0.07  -0.03     0.02  -0.06  -0.03
    15   6    -0.07  -0.03  -0.03     0.01   0.00   0.02    -0.14  -0.06  -0.03
    16   6    -0.02  -0.03   0.15     0.02   0.03  -0.14    -0.01  -0.02   0.08
    17   8    -0.12  -0.00   0.03    -0.10   0.03   0.03    -0.10  -0.08   0.02
    18   6    -0.11  -0.02  -0.08    -0.09  -0.01  -0.10    -0.07   0.01   0.04
    19   6    -0.07  -0.07  -0.03    -0.06  -0.07  -0.01    -0.03  -0.01  -0.10
    20   6     0.05  -0.01   0.08     0.02  -0.03   0.09     0.08   0.00   0.02
    21   6    -0.03  -0.02   0.02    -0.03  -0.03   0.03    -0.02  -0.03   0.01
    22   6    -0.03   0.02  -0.06    -0.02   0.02  -0.12    -0.02   0.06   0.18
    23   6     0.02  -0.01  -0.03     0.03   0.01  -0.02    -0.02  -0.08  -0.03
    24   6     0.00  -0.03  -0.09     0.01  -0.01  -0.07    -0.03  -0.08  -0.10
    25   6     0.02   0.03   0.15     0.02   0.03   0.14     0.01   0.02   0.08
    26   6     0.07   0.03  -0.03     0.01   0.00  -0.02     0.14   0.06  -0.03
    27   6     0.01  -0.05   0.02     0.01  -0.07   0.03    -0.02   0.06  -0.03
    28   6     0.02   0.03   0.05     0.02   0.05   0.03    -0.01   0.03  -0.03
    29   6     0.01   0.01   0.06     0.00   0.01   0.07    -0.01  -0.01  -0.10
    30   9    -0.07  -0.03   0.06    -0.08  -0.03   0.08     0.12   0.01  -0.08
    31   8     0.04   0.10  -0.04     0.03   0.17  -0.04    -0.00   0.08   0.01
    32   9     0.09   0.04   0.02     0.10   0.03   0.01    -0.14  -0.07  -0.04
    33   9    -0.01  -0.03  -0.12    -0.00  -0.05  -0.12     0.04   0.02   0.16
    34   9     0.01   0.03  -0.11    -0.00  -0.05   0.12    -0.04  -0.02   0.16
    35   9    -0.09  -0.04   0.01     0.10   0.03  -0.01     0.14   0.07  -0.04
    36   1     0.04  -0.05  -0.28     0.04  -0.02  -0.27     0.01  -0.11  -0.13
    37   1     0.11   0.08  -0.01     0.11   0.09   0.01     0.00  -0.03  -0.08
    38   1     0.03   0.01  -0.14     0.05   0.04  -0.16    -0.02  -0.06   0.00
    39   1     0.10   0.04   0.04     0.14   0.06   0.07    -0.05  -0.05  -0.02
    40   1    -0.07  -0.05   0.01    -0.06  -0.05   0.04    -0.12  -0.09  -0.01
    41   1    -0.00   0.08   0.21     0.01   0.07   0.12    -0.03   0.09   0.22
    42   1    -0.01   0.05   0.18     0.03   0.07   0.19    -0.05   0.03   0.09
    43   1    -0.05   0.02   0.08    -0.01   0.04   0.07    -0.10  -0.02  -0.02
    44   1     0.20   0.09  -0.10     0.13   0.07  -0.10     0.18   0.10  -0.06
    45   1     0.02   0.01  -0.08    -0.03  -0.01  -0.07     0.14   0.07  -0.05
    46   1    -0.03  -0.02  -0.09    -0.10  -0.05  -0.08     0.07   0.04  -0.06
    47   1     0.04  -0.05   0.06     0.03  -0.06   0.05     0.01   0.02   0.04
    48   1     0.05  -0.11   0.08     0.04  -0.12   0.08    -0.01   0.05   0.02
    49   1     0.01   0.04   0.02     0.01   0.00   0.03    -0.04   0.16  -0.02
    50   1     0.01  -0.05   0.18     0.03   0.07  -0.19     0.05  -0.03   0.09
    51   1     0.00  -0.08   0.21     0.01   0.07  -0.12     0.03  -0.09   0.23
    52   1     0.05  -0.02   0.08    -0.01   0.04  -0.07     0.10   0.02  -0.02
    53   1     0.03   0.02  -0.09    -0.10  -0.05   0.08    -0.07  -0.04  -0.06
    54   1    -0.02  -0.01  -0.08    -0.03  -0.01   0.07    -0.14  -0.07  -0.05
    55   1    -0.20  -0.09  -0.10     0.13   0.07   0.10    -0.18  -0.10  -0.06
    56   1    -0.03  -0.01  -0.14     0.05   0.04   0.16     0.02   0.06   0.00
    57   1    -0.10  -0.04   0.04     0.14   0.06  -0.07     0.05   0.06  -0.02
    58   1    -0.11  -0.08  -0.01     0.11   0.09  -0.01    -0.00   0.03  -0.09
    59   1    -0.04   0.05  -0.28     0.04  -0.02   0.27    -0.01   0.11  -0.14
    60   1     0.07   0.05   0.01    -0.06  -0.05  -0.04     0.12   0.09  -0.01
    61   1    -0.04   0.11   0.07     0.04  -0.12  -0.08     0.01  -0.05   0.02
    62   1    -0.04   0.05   0.06     0.03  -0.06  -0.05    -0.01  -0.02   0.04
    63   1    -0.01  -0.04   0.02     0.01   0.00  -0.03     0.04  -0.16  -0.02
                     55                     56                     57
                      A                      A                      A
 Frequencies --    535.2729               567.1751               570.8230
 Red. masses --      6.3113                 4.3770                 4.0841
 Frc consts  --      1.0654                 0.8296                 0.7841
 IR Inten    --     26.3122                 0.5573                27.6033
 RamAct Fr= 1--      0.2057                 2.0072                 0.4994
  Dep-P Fr= 1--      0.7493                 0.5199                 0.7500
  Dep-U Fr= 1--      0.8567                 0.6841                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0090                 0.0000
 Beta2  Fr= 1--      0.0294                 0.2289                 0.0713
 AlphaG Fr= 1--     -0.0000                 0.0167                 0.0000
 Gamma2 Fr= 1--      0.7242                 0.6685                -1.8358
 Delta2 Fr= 1--     -0.2042                 0.3714                -1.3129
 Raman1 Fr= 1--       0.823                  8.029                  1.998
 ROA1   Fr= 1--      62.993                 76.066               -218.249
 CID1   Fr= 1--      76.557                  9.474               -109.257
 Raman2 Fr= 1--       0.352                  2.746                  0.856
 ROA2   Fr= 1--      19.016                 13.074                -33.556
 CID2   Fr= 1--      53.953                  4.760                -39.196
 Raman3 Fr= 1--       0.705                  5.493                  1.712
 ROA3   Fr= 1--      62.993                 76.066               -218.249
 CID3   Fr= 1--      89.364                 13.848               -127.467
 RC180  Fr= 1--       0.713                  0.368                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.08   0.03     0.02  -0.04  -0.01     0.02  -0.04  -0.02
     2   6    -0.02  -0.03  -0.01    -0.05  -0.09  -0.07    -0.04  -0.09  -0.07
     3   6    -0.02   0.05  -0.15    -0.01   0.00   0.05    -0.01  -0.00   0.05
     4   6    -0.08  -0.00  -0.02     0.07   0.03   0.06     0.07   0.02   0.06
     5   6    -0.06  -0.02   0.09     0.04   0.08   0.05     0.05   0.09   0.05
     6   6    -0.03  -0.08   0.12     0.02  -0.01   0.00     0.02  -0.01  -0.01
     7   6     0.08   0.01  -0.04    -0.02  -0.08  -0.06    -0.02  -0.08  -0.06
     8   8    -0.11  -0.08  -0.02     0.05  -0.11  -0.03     0.06  -0.10  -0.03
     9  29     0.04   0.01  -0.00     0.00   0.00   0.00     0.00   0.01  -0.00
    10   8     0.01   0.07  -0.01    -0.05   0.04  -0.00    -0.04   0.01  -0.00
    11   6     0.01   0.02   0.01    -0.04   0.05   0.02    -0.03   0.03   0.02
    12   6     0.01  -0.00   0.08     0.03   0.04   0.00     0.02   0.03  -0.00
    13   9     0.07  -0.01   0.09    -0.03  -0.05   0.02    -0.02  -0.03   0.01
    14   6    -0.01   0.04   0.02    -0.04   0.16   0.06    -0.04   0.17   0.07
    15   6     0.13   0.05   0.03    -0.10  -0.03  -0.00    -0.10  -0.04  -0.00
    16   6     0.01   0.03  -0.12     0.02   0.02  -0.06     0.02   0.02  -0.05
    17   8    -0.11  -0.08   0.02    -0.05   0.11  -0.03     0.06  -0.10   0.03
    18   6    -0.08  -0.00   0.02    -0.07  -0.03   0.06     0.07   0.02  -0.06
    19   6    -0.06  -0.02  -0.09    -0.04  -0.08   0.05     0.05   0.09  -0.05
    20   6     0.08   0.01   0.04     0.01   0.08  -0.06    -0.02  -0.08   0.06
    21   6    -0.02  -0.03   0.01     0.05   0.09  -0.07    -0.04  -0.09   0.07
    22   6    -0.02   0.05   0.15     0.01  -0.00   0.05    -0.01  -0.00  -0.05
    23   6    -0.01  -0.08  -0.03    -0.02   0.04  -0.01     0.02  -0.04   0.02
    24   6    -0.03  -0.08  -0.12    -0.02   0.01   0.00     0.02  -0.01   0.01
    25   6     0.01   0.03   0.12    -0.02  -0.02  -0.06     0.02   0.02   0.05
    26   6     0.13   0.05  -0.03     0.10   0.03   0.00    -0.10  -0.04   0.00
    27   6    -0.02   0.05  -0.02     0.04  -0.16   0.06    -0.04   0.17  -0.07
    28   6     0.01   0.02  -0.01     0.04  -0.05   0.02    -0.03   0.03  -0.02
    29   6     0.01  -0.00  -0.08    -0.03  -0.04   0.00     0.02   0.03   0.00
    30   9     0.07  -0.01  -0.09     0.03   0.05   0.02    -0.02  -0.03  -0.01
    31   8     0.01   0.07   0.01     0.05  -0.04  -0.00    -0.04   0.01   0.00
    32   9    -0.11  -0.05   0.00    -0.00   0.03  -0.05     0.01  -0.02   0.03
    33   9     0.06   0.03   0.12    -0.07  -0.03   0.03     0.05   0.02  -0.02
    34   9     0.06   0.03  -0.11     0.07   0.03   0.03     0.04   0.02   0.02
    35   9    -0.11  -0.05  -0.00     0.00  -0.03  -0.05     0.01  -0.02  -0.03
    36   1     0.02  -0.11  -0.20    -0.02   0.02  -0.10     0.02  -0.02   0.12
    37   1     0.04  -0.00  -0.07     0.02   0.06   0.03    -0.02  -0.07  -0.02
    38   1    -0.01  -0.05  -0.03    -0.04   0.03   0.14     0.04  -0.03  -0.12
    39   1    -0.02  -0.05  -0.01    -0.13  -0.03  -0.10     0.12   0.02   0.10
    40   1    -0.12  -0.09  -0.02     0.07   0.10  -0.08    -0.05  -0.09   0.08
    41   1    -0.02   0.09   0.24    -0.01  -0.07   0.05     0.01   0.06  -0.06
    42   1    -0.04   0.04   0.12    -0.09  -0.11  -0.17     0.09   0.10   0.17
    43   1    -0.09  -0.00   0.02    -0.03  -0.06   0.01     0.03   0.06  -0.01
    44   1     0.21   0.11  -0.08     0.07  -0.05   0.04    -0.09   0.05  -0.04
    45   1     0.10   0.05  -0.07     0.04  -0.04   0.04    -0.04   0.04  -0.03
    46   1     0.05   0.02  -0.08     0.26   0.05   0.02    -0.26  -0.05  -0.02
    47   1     0.02   0.02   0.04     0.06  -0.07   0.01    -0.06   0.08  -0.01
    48   1     0.01   0.01   0.04     0.11  -0.25   0.09    -0.11   0.27  -0.10
    49   1    -0.03   0.17  -0.02     0.10  -0.16   0.04    -0.10   0.17  -0.05
    50   1    -0.03   0.04  -0.12     0.09   0.11  -0.17     0.09   0.10  -0.17
    51   1    -0.02   0.09  -0.24     0.01   0.07   0.05     0.01   0.06   0.06
    52   1    -0.09  -0.00  -0.02     0.03   0.06   0.01     0.03   0.06   0.01
    53   1     0.05   0.02   0.08    -0.26  -0.05   0.02    -0.26  -0.05   0.02
    54   1     0.10   0.05   0.06    -0.04   0.04   0.04    -0.04   0.04   0.03
    55   1     0.21   0.11   0.08    -0.07   0.05   0.04    -0.09   0.05   0.04
    56   1    -0.01  -0.05   0.03     0.04  -0.03   0.14     0.04  -0.03   0.12
    57   1    -0.02  -0.04   0.01     0.13   0.03  -0.10     0.12   0.02  -0.10
    58   1     0.04  -0.00   0.07    -0.02  -0.06   0.03    -0.02  -0.07   0.02
    59   1     0.02  -0.11   0.20     0.02  -0.02  -0.10     0.02  -0.02  -0.12
    60   1    -0.12  -0.09   0.02    -0.07  -0.10  -0.08    -0.05  -0.09  -0.08
    61   1     0.01   0.01  -0.04    -0.11   0.25   0.09    -0.11   0.27   0.10
    62   1     0.02   0.02  -0.04    -0.06   0.07   0.01    -0.06   0.08   0.01
    63   1    -0.03   0.16   0.02    -0.10   0.16   0.04    -0.10   0.17   0.05
                     58                     59                     60
                      A                      A                      A
 Frequencies --    593.2573               594.4108               607.2054
 Red. masses --      5.2095                 5.4666                 6.0423
 Frc consts  --      1.0803                 1.1380                 1.3126
 IR Inten    --      0.0017                40.7914                 0.3030
 RamAct Fr= 1--      3.7487                 0.5821                17.0240
  Dep-P Fr= 1--      0.7266                 0.7500                 0.0136
  Dep-U Fr= 1--      0.8417                 0.8571                 0.0268
 Alpha2 Fr= 1--      0.0015                 0.0000                 0.3665
 Beta2  Fr= 1--      0.5259                 0.0832                 0.0762
 AlphaG Fr= 1--     -0.0138                -0.0000                -0.5276
 Gamma2 Fr= 1--      6.0250                -3.6542                 2.4411
 Delta2 Fr= 1--      3.3016                -2.7289                 0.9921
 Raman1 Fr= 1--      14.995                  2.328                 68.096
 ROA1   Fr= 1--     684.052               -438.124                266.094
 CID1   Fr= 1--      45.619               -188.162                  3.908
 Raman2 Fr= 1--       6.310                  0.998                  0.914
 ROA2   Fr= 1--     118.188                -65.868                 50.650
 CID2   Fr= 1--      18.729                -66.008                 55.420
 Raman3 Fr= 1--      12.621                  1.996                  1.828
 ROA3   Fr= 1--     684.052               -438.124                266.094
 CID3   Fr= 1--      54.201               -219.526                145.579
 RC180  Fr= 1--       0.683                  0.714                 -0.946
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.05  -0.03     0.00  -0.05   0.03    -0.09   0.03   0.14
     2   6    -0.05   0.02  -0.01     0.05  -0.01   0.02    -0.02   0.00   0.11
     3   6    -0.07   0.05   0.05     0.06  -0.05  -0.05    -0.01  -0.06  -0.08
     4   6    -0.04   0.03  -0.03     0.03  -0.02   0.03     0.07  -0.04  -0.10
     5   6     0.05  -0.00  -0.06    -0.05  -0.01   0.06    -0.02  -0.03  -0.04
     6   6     0.03   0.05  -0.10    -0.03  -0.05   0.10    -0.07   0.05   0.07
     7   6     0.07  -0.03   0.09    -0.07   0.04  -0.09    -0.04   0.08  -0.03
     8   8    -0.09  -0.12  -0.01     0.09   0.14   0.01     0.13   0.01   0.03
     9  29    -0.00  -0.00  -0.00    -0.04  -0.01   0.00     0.00  -0.00  -0.00
    10   8    -0.09   0.06   0.00     0.10  -0.06  -0.00    -0.11   0.06   0.02
    11   6    -0.08   0.07   0.03     0.09  -0.06  -0.03    -0.08   0.01  -0.03
    12   6     0.02   0.05  -0.00    -0.02  -0.05   0.00     0.05   0.05   0.01
    13   9    -0.03  -0.05  -0.01     0.03   0.06   0.01    -0.02  -0.06   0.05
    14   6     0.02  -0.08  -0.04    -0.02   0.06   0.03     0.03  -0.09  -0.05
    15   6     0.12   0.05  -0.00    -0.12  -0.05   0.00    -0.01   0.00   0.01
    16   6    -0.05  -0.05   0.15     0.05   0.05  -0.15     0.04   0.02  -0.10
    17   8     0.09   0.12  -0.01     0.09   0.14  -0.01    -0.13  -0.01   0.03
    18   6     0.04  -0.03  -0.03     0.03  -0.02  -0.02    -0.07   0.04  -0.10
    19   6    -0.05   0.00  -0.06    -0.05  -0.01  -0.06     0.02   0.03  -0.04
    20   6    -0.07   0.03   0.09    -0.07   0.04   0.09     0.04  -0.08  -0.03
    21   6     0.05  -0.02  -0.01     0.05  -0.01  -0.02     0.02  -0.00   0.11
    22   6     0.07  -0.05   0.05     0.06  -0.05   0.05     0.01   0.06  -0.08
    23   6     0.01  -0.05  -0.03     0.00  -0.05  -0.03     0.09  -0.03   0.14
    24   6    -0.03  -0.05  -0.10    -0.03  -0.05  -0.10     0.07  -0.05   0.07
    25   6     0.05   0.05   0.15     0.05   0.05   0.15    -0.04  -0.02  -0.10
    26   6    -0.12  -0.05  -0.00    -0.12  -0.05  -0.00     0.01  -0.00   0.01
    27   6    -0.02   0.08  -0.04    -0.02   0.06  -0.03    -0.03   0.09  -0.05
    28   6     0.08  -0.07   0.03     0.09  -0.06   0.03     0.08  -0.01  -0.03
    29   6    -0.02  -0.05  -0.00    -0.02  -0.05  -0.00    -0.05  -0.05   0.01
    30   9     0.03   0.05  -0.01     0.03   0.06  -0.01     0.02   0.06   0.05
    31   8     0.09  -0.07   0.00     0.10  -0.06   0.00     0.11  -0.06   0.02
    32   9    -0.02   0.05  -0.04    -0.02   0.05  -0.04    -0.00   0.04  -0.08
    33   9    -0.08  -0.03   0.03    -0.09  -0.03   0.04    -0.09  -0.09   0.03
    34   9     0.08   0.03   0.03    -0.09  -0.03  -0.04     0.09   0.09   0.03
    35   9     0.02  -0.05  -0.04    -0.02   0.05   0.04     0.00  -0.04  -0.08
    36   1     0.00  -0.07  -0.16    -0.00  -0.07  -0.17     0.04  -0.02   0.10
    37   1     0.02   0.00  -0.06     0.02   0.01  -0.07     0.04  -0.08   0.05
    38   1    -0.00  -0.01   0.04    -0.01  -0.01   0.04     0.10  -0.06   0.13
    39   1    -0.04  -0.04  -0.04    -0.05  -0.04  -0.05     0.08  -0.01   0.15
    40   1     0.10   0.05  -0.14     0.10   0.05  -0.15    -0.05  -0.06   0.16
    41   1     0.06   0.03   0.03     0.06   0.03   0.04    -0.07   0.05  -0.10
    42   1     0.11   0.05   0.16     0.11   0.05   0.15    -0.03   0.06   0.02
    43   1     0.11   0.07   0.21     0.11   0.07   0.22    -0.10  -0.00  -0.24
    44   1     0.02  -0.03  -0.07     0.02  -0.03  -0.07    -0.10   0.02   0.04
    45   1    -0.23  -0.13  -0.04    -0.24  -0.13  -0.04     0.12   0.09   0.04
    46   1    -0.13  -0.10  -0.06    -0.12  -0.10  -0.06    -0.04   0.03   0.04
    47   1     0.01   0.08  -0.00     0.01   0.06   0.01    -0.06   0.03  -0.02
    48   1     0.02   0.02   0.02     0.03   0.00   0.03    -0.09   0.17  -0.09
    49   1    -0.01   0.18  -0.04    -0.01   0.15  -0.04    -0.07   0.07  -0.03
    50   1    -0.11  -0.05   0.16     0.11   0.05  -0.15     0.03  -0.06   0.02
    51   1    -0.06  -0.03   0.03     0.06   0.02  -0.04     0.07  -0.05  -0.10
    52   1    -0.11  -0.07   0.21     0.11   0.07  -0.22     0.10   0.00  -0.24
    53   1     0.13   0.10  -0.06    -0.12  -0.10   0.06     0.04  -0.03   0.04
    54   1     0.23   0.13  -0.04    -0.24  -0.13   0.04    -0.12  -0.09   0.04
    55   1    -0.02   0.03  -0.07     0.02  -0.03   0.07     0.10  -0.02   0.04
    56   1     0.00   0.01   0.04    -0.01  -0.01  -0.04    -0.10   0.06   0.13
    57   1     0.04   0.04  -0.04    -0.05  -0.04   0.05    -0.08   0.01   0.15
    58   1    -0.02  -0.00  -0.06     0.02   0.01   0.07    -0.04   0.08   0.05
    59   1    -0.00   0.07  -0.16    -0.00  -0.07   0.17    -0.04   0.02   0.10
    60   1    -0.10  -0.05  -0.14     0.10   0.05   0.15     0.04   0.06   0.16
    61   1    -0.02  -0.02   0.02     0.03   0.00  -0.03     0.09  -0.17  -0.09
    62   1    -0.01  -0.08  -0.00     0.02   0.06  -0.01     0.06  -0.03  -0.02
    63   1     0.01  -0.18  -0.04    -0.01   0.16   0.04     0.07  -0.07  -0.03
                     61                     62                     63
                      A                      A                      A
 Frequencies --    619.9678               655.7470               657.5680
 Red. masses --      6.5830                 4.6572                 4.7417
 Frc consts  --      1.4908                 1.1799                 1.2080
 IR Inten    --      3.9578                 0.4594                23.5506
 RamAct Fr= 1--      1.1937                 3.9180                 1.4913
  Dep-P Fr= 1--      0.7500                 0.4513                 0.7499
  Dep-U Fr= 1--      0.8571                 0.6219                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0239                 0.0000
 Beta2  Fr= 1--      0.1705                 0.4061                 0.2130
 AlphaG Fr= 1--      0.0000                -0.1622                -0.0000
 Gamma2 Fr= 1--     -4.8562                -5.7331                 8.2327
 Delta2 Fr= 1--      0.8137                -6.3329                 2.6511
 Raman1 Fr= 1--       4.775                 15.672                  5.965
 ROA1   Fr= 1--    -440.154               -753.030                875.173
 CID1   Fr= 1--     -92.181                -48.050                146.711
 Raman2 Fr= 1--       2.046                  4.873                  2.556
 ROA2   Fr= 1--    -123.058                -86.931                176.375
 CID2   Fr= 1--     -60.134                -17.838                 68.994
 Raman3 Fr= 1--       4.093                  9.747                  5.113
 ROA3   Fr= 1--    -440.154               -753.030                875.173
 CID3   Fr= 1--    -107.545                -77.259                171.174
 RC180  Fr= 1--       0.714                  0.244                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11   0.04   0.17    -0.11   0.03   0.15    -0.11   0.02   0.14
     2   6    -0.05  -0.02   0.12    -0.13  -0.07   0.05    -0.14  -0.07   0.04
     3   6    -0.02  -0.05  -0.07    -0.02   0.02  -0.00    -0.02   0.02   0.01
     4   6     0.11  -0.02  -0.12     0.03   0.03  -0.12     0.00   0.03  -0.11
     5   6     0.03  -0.01  -0.05     0.08   0.04  -0.06     0.06   0.04  -0.06
     6   6    -0.07   0.07   0.06    -0.02   0.09  -0.02    -0.02   0.08  -0.03
     7   6    -0.03   0.05  -0.04     0.05  -0.10  -0.01     0.05  -0.11  -0.01
     8   8     0.15  -0.00   0.04     0.01  -0.04   0.03    -0.02  -0.05   0.02
     9  29    -0.00  -0.04   0.00     0.00  -0.00  -0.00    -0.01   0.02  -0.00
    10   8    -0.11   0.08   0.02     0.12   0.01   0.00     0.14   0.00  -0.00
    11   6    -0.09   0.03  -0.02     0.09  -0.04   0.02     0.10  -0.05   0.02
    12   6     0.03   0.05   0.01    -0.00  -0.05  -0.01    -0.00  -0.06  -0.02
    13   9    -0.02  -0.06   0.03     0.00   0.04  -0.00     0.00   0.05   0.00
    14   6     0.03  -0.09  -0.05     0.01  -0.00  -0.02     0.01   0.01  -0.01
    15   6    -0.03  -0.01   0.00     0.02  -0.00   0.00     0.04   0.00   0.00
    16   6     0.04   0.03  -0.10     0.02  -0.01  -0.03     0.01  -0.01  -0.01
    17   8     0.15  -0.00  -0.04    -0.01   0.05   0.03    -0.02  -0.05  -0.02
    18   6     0.11  -0.02   0.12    -0.03  -0.03  -0.12     0.00   0.03   0.11
    19   6     0.03  -0.01   0.05    -0.08  -0.04  -0.06     0.06   0.04   0.06
    20   6    -0.04   0.05   0.04    -0.05   0.10  -0.01     0.05  -0.11   0.01
    21   6    -0.05  -0.02  -0.12     0.13   0.07   0.05    -0.13  -0.07  -0.04
    22   6    -0.02  -0.05   0.07     0.02  -0.02  -0.00    -0.02   0.02  -0.01
    23   6    -0.11   0.04  -0.17     0.12  -0.03   0.16    -0.10   0.02  -0.13
    24   6    -0.07   0.07  -0.06     0.02  -0.09  -0.02    -0.02   0.08   0.03
    25   6     0.04   0.03   0.10    -0.02   0.01  -0.03     0.01  -0.01   0.01
    26   6    -0.03  -0.01  -0.00    -0.02   0.00   0.00     0.04   0.00  -0.00
    27   6     0.03  -0.09   0.05    -0.01  -0.00  -0.02     0.01   0.01   0.01
    28   6    -0.09   0.03   0.02    -0.09   0.04   0.02     0.10  -0.04  -0.02
    29   6     0.03   0.05  -0.01     0.00   0.05  -0.01    -0.00  -0.06   0.02
    30   9    -0.02  -0.06  -0.03    -0.00  -0.04  -0.00     0.00   0.05  -0.00
    31   8    -0.11   0.08  -0.02    -0.12  -0.01   0.00     0.14   0.00   0.00
    32   9     0.01  -0.04   0.06    -0.02  -0.04   0.01     0.02   0.05  -0.01
    33   9     0.09   0.07  -0.03     0.07   0.04  -0.01    -0.08  -0.05   0.01
    34   9     0.09   0.07   0.03    -0.06  -0.04  -0.01    -0.08  -0.05  -0.01
    35   9     0.01  -0.04  -0.06     0.02   0.04   0.01     0.02   0.05   0.01
    36   1    -0.05   0.05  -0.02     0.00  -0.06  -0.19     0.01   0.04   0.17
    37   1    -0.09   0.06  -0.07     0.09  -0.01   0.02    -0.06   0.01   0.00
    38   1    -0.11   0.06  -0.19     0.10  -0.01   0.33    -0.08   0.00  -0.32
    39   1    -0.07   0.03  -0.16    -0.02  -0.05   0.08     0.04   0.05  -0.05
    40   1     0.02   0.03  -0.14     0.18   0.13  -0.08    -0.19  -0.14   0.10
    41   1     0.07  -0.04   0.09    -0.00  -0.03  -0.04    -0.01   0.03   0.03
    42   1     0.04  -0.05   0.01    -0.02  -0.03  -0.09     0.01   0.04   0.07
    43   1     0.10   0.01   0.23     0.02   0.00   0.05    -0.04  -0.01  -0.08
    44   1     0.06  -0.00  -0.04     0.01  -0.10   0.02    -0.00   0.10  -0.02
    45   1    -0.11  -0.05  -0.04    -0.15  -0.14   0.05     0.18   0.15  -0.04
    46   1    -0.04  -0.03  -0.03     0.19  -0.01  -0.01    -0.17   0.02   0.01
    47   1     0.04  -0.07   0.04     0.02   0.05  -0.02    -0.02  -0.02   0.01
    48   1     0.05  -0.12   0.07     0.05  -0.09   0.03    -0.05   0.09  -0.03
    49   1     0.05  -0.09   0.04     0.02   0.07  -0.03    -0.02  -0.05   0.02
    50   1     0.04  -0.05  -0.01     0.02   0.03  -0.08     0.01   0.04  -0.08
    51   1     0.07  -0.04  -0.09     0.00   0.03  -0.04    -0.01   0.03  -0.03
    52   1     0.10   0.01  -0.23    -0.02  -0.00   0.05    -0.04  -0.01   0.09
    53   1    -0.04  -0.03   0.03    -0.19   0.01  -0.01    -0.17   0.02  -0.01
    54   1    -0.11  -0.05   0.04     0.15   0.14   0.05     0.18   0.15   0.04
    55   1     0.06  -0.00   0.04    -0.01   0.09   0.02    -0.00   0.10   0.02
    56   1    -0.11   0.06   0.19    -0.10   0.01   0.32    -0.08   0.00   0.32
    57   1    -0.07   0.03   0.16     0.02   0.05   0.08     0.04   0.05   0.05
    58   1    -0.09   0.06   0.07    -0.08   0.01   0.02    -0.06   0.01  -0.00
    59   1    -0.05   0.05   0.02    -0.00   0.05  -0.19     0.01   0.04  -0.18
    60   1     0.02   0.03   0.14    -0.17  -0.13  -0.08    -0.19  -0.14  -0.10
    61   1     0.05  -0.12  -0.07    -0.05   0.08   0.02    -0.05   0.09   0.03
    62   1     0.04  -0.07  -0.04    -0.02  -0.05  -0.02    -0.02  -0.02  -0.01
    63   1     0.05  -0.09  -0.04    -0.02  -0.06  -0.03    -0.02  -0.05  -0.03
                     64                     65                     66
                      A                      A                      A
 Frequencies --    696.1093               701.0676               722.5312
 Red. masses --      4.8409                 5.0446                 6.7575
 Frc consts  --      1.3821                 1.4608                 2.0785
 IR Inten    --      0.1121                17.0139                 2.0012
 RamAct Fr= 1--     26.8424                 0.1006                 4.0971
  Dep-P Fr= 1--      0.0049                 0.7444                 0.5550
  Dep-U Fr= 1--      0.0097                 0.8535                 0.7138
 Alpha2 Fr= 1--      0.5897                 0.0000                 0.0152
 Beta2  Fr= 1--      0.0436                 0.0143                 0.4874
 AlphaG Fr= 1--     -0.2946                -0.0000                 0.1113
 Gamma2 Fr= 1--      0.3450                -2.6709                -9.4956
 Delta2 Fr= 1--     -0.2267                 0.8181                -3.5241
 Raman1 Fr= 1--     107.369                  0.402                 16.388
 ROA1   Fr= 1--      25.870               -230.227              -1024.345
 CID1   Fr= 1--       0.241               -572.395                -62.504
 Raman2 Fr= 1--       0.523                  0.172                  5.849
 ROA2   Fr= 1--      10.095                -70.646               -199.701
 CID2   Fr= 1--      19.299               -411.584                -34.142
 Raman3 Fr= 1--       1.046                  0.343                 11.698
 ROA3   Fr= 1--      25.870               -230.227              -1024.345
 CID3   Fr= 1--      24.730               -670.649                -87.563
 RC180  Fr= 1--      -0.981                  0.707                  0.428
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.02  -0.02    -0.01   0.02   0.02     0.02  -0.00   0.03
     2   6    -0.00  -0.07  -0.05    -0.02   0.08   0.04     0.17  -0.05   0.05
     3   6    -0.00  -0.13   0.00    -0.01   0.13   0.00     0.07   0.02   0.01
     4   6    -0.02  -0.08  -0.07     0.01   0.07   0.08    -0.02   0.05  -0.21
     5   6    -0.12   0.02  -0.04     0.13  -0.01   0.04    -0.10   0.00  -0.04
     6   6    -0.02  -0.01  -0.03     0.02   0.01   0.02    -0.06  -0.01   0.06
     7   6     0.02  -0.02   0.02    -0.02   0.02  -0.01     0.05  -0.12  -0.01
     8   8     0.02   0.08   0.02    -0.03  -0.10  -0.03    -0.04   0.04   0.05
     9  29    -0.00  -0.00  -0.00     0.00   0.03  -0.00     0.00   0.00  -0.00
    10   8    -0.03   0.08  -0.00     0.05  -0.10   0.00    -0.01  -0.06  -0.05
    11   6    -0.02  -0.11   0.04     0.03   0.10  -0.05    -0.01   0.04   0.22
    12   6     0.04  -0.06  -0.01    -0.04   0.05   0.01    -0.04   0.09  -0.01
    13   9     0.00   0.01   0.08    -0.00  -0.01  -0.07    -0.08   0.02  -0.15
    14   6    -0.05   0.13   0.04     0.05  -0.13  -0.04    -0.03   0.06   0.01
    15   6     0.10   0.04   0.01    -0.09  -0.03  -0.00    -0.00  -0.02  -0.00
    16   6    -0.02  -0.02   0.08     0.02   0.02  -0.07     0.02  -0.01  -0.03
    17   8    -0.02  -0.08   0.02    -0.03  -0.10   0.03     0.04  -0.04   0.05
    18   6     0.02   0.08  -0.07     0.01   0.07  -0.08     0.02  -0.04  -0.20
    19   6     0.12  -0.02  -0.04     0.13  -0.01  -0.04     0.09  -0.00  -0.04
    20   6    -0.02   0.02   0.02    -0.02   0.02   0.01    -0.05   0.12  -0.01
    21   6     0.00   0.07  -0.05    -0.02   0.08  -0.04    -0.16   0.05   0.05
    22   6     0.00   0.13   0.00    -0.01   0.14  -0.00    -0.06  -0.02   0.01
    23   6    -0.00   0.02  -0.02    -0.01   0.02  -0.02    -0.02   0.00   0.03
    24   6     0.02   0.01  -0.03     0.02   0.01  -0.02     0.06   0.01   0.06
    25   6     0.02   0.02   0.08     0.02   0.02   0.07    -0.02   0.01  -0.02
    26   6    -0.10  -0.04   0.01    -0.09  -0.03   0.00    -0.00   0.02  -0.00
    27   6     0.05  -0.13   0.04     0.05  -0.13   0.04     0.03  -0.06   0.01
    28   6     0.02   0.11   0.04     0.03   0.10   0.05     0.01  -0.04   0.21
    29   6    -0.04   0.06  -0.01    -0.04   0.05  -0.01     0.04  -0.08  -0.01
    30   9    -0.00  -0.01   0.08    -0.00  -0.01   0.07     0.07  -0.02  -0.14
    31   8     0.03  -0.08  -0.00     0.05  -0.10  -0.00     0.01   0.06  -0.05
    32   9    -0.07  -0.03  -0.09    -0.07  -0.03  -0.09     0.00   0.05   0.05
    33   9     0.05  -0.02   0.01     0.04  -0.03   0.01    -0.08  -0.01   0.03
    34   9    -0.05   0.02   0.01     0.04  -0.03  -0.01     0.08   0.01   0.04
    35   9     0.07   0.03  -0.09    -0.07  -0.03   0.09    -0.00  -0.05   0.05
    36   1    -0.05   0.06   0.11    -0.05   0.06   0.13     0.07  -0.01   0.10
    37   1    -0.11  -0.08  -0.14    -0.11  -0.08  -0.13    -0.00   0.03  -0.01
    38   1    -0.02  -0.04   0.09    -0.01  -0.06   0.07     0.01  -0.07  -0.21
    39   1    -0.12   0.01  -0.09    -0.11   0.01  -0.08     0.13   0.03   0.12
    40   1    -0.04   0.06  -0.10    -0.07   0.06  -0.09    -0.16   0.06   0.02
    41   1     0.03  -0.00   0.03     0.03  -0.00   0.03     0.02  -0.07  -0.02
    42   1     0.04   0.01   0.06     0.04   0.01   0.06    -0.04  -0.09  -0.16
    43   1     0.06   0.03   0.13     0.05   0.03   0.12     0.05  -0.01   0.14
    44   1    -0.09  -0.04  -0.00    -0.09  -0.03   0.00     0.03  -0.02   0.00
    45   1    -0.12  -0.06   0.00    -0.11  -0.04   0.00    -0.08  -0.05   0.01
    46   1    -0.10  -0.04  -0.00    -0.10  -0.04  -0.00     0.10   0.02   0.00
    47   1     0.00  -0.33   0.15     0.00  -0.34   0.15     0.00  -0.16   0.06
    48   1    -0.08   0.04   0.01    -0.09   0.06  -0.00    -0.05   0.05  -0.03
    49   1    -0.06  -0.15   0.09    -0.07  -0.15   0.09    -0.03  -0.09   0.04
    50   1    -0.04  -0.01   0.06     0.04   0.01  -0.06     0.04   0.09  -0.17
    51   1    -0.03   0.00   0.03     0.03  -0.00  -0.03    -0.02   0.08  -0.02
    52   1    -0.06  -0.03   0.13     0.05   0.03  -0.12    -0.05   0.01   0.14
    53   1     0.10   0.04  -0.00    -0.10  -0.04   0.00    -0.10  -0.03   0.00
    54   1     0.12   0.06   0.00    -0.11  -0.04  -0.00     0.08   0.05   0.01
    55   1     0.09   0.04  -0.00    -0.09  -0.03  -0.00    -0.03   0.02   0.00
    56   1     0.02   0.04   0.09    -0.01  -0.06  -0.07    -0.01   0.07  -0.22
    57   1     0.12  -0.01  -0.09    -0.11   0.01   0.08    -0.13  -0.03   0.12
    58   1     0.11   0.08  -0.14    -0.11  -0.08   0.13     0.00  -0.03  -0.01
    59   1     0.06  -0.06   0.11    -0.05   0.06  -0.13    -0.08   0.01   0.10
    60   1     0.04  -0.06  -0.11    -0.07   0.06   0.09     0.17  -0.06   0.02
    61   1     0.08  -0.05   0.01    -0.09   0.06   0.00     0.05  -0.05  -0.03
    62   1    -0.00   0.33   0.15     0.00  -0.33  -0.15    -0.00   0.17   0.07
    63   1     0.06   0.15   0.09    -0.06  -0.15  -0.09     0.03   0.09   0.04
                     67                     68                     69
                      A                      A                      A
 Frequencies --    723.1417               748.4054               748.6068
 Red. masses --      6.7687                 4.4178                 4.5994
 Frc consts  --      2.0855                 1.4579                 1.5186
 IR Inten    --     27.5306                13.6250                 1.3158
 RamAct Fr= 1--      3.0323                 3.2660                 2.9690
  Dep-P Fr= 1--      0.7499                 0.7453                 0.3554
  Dep-U Fr= 1--      0.8571                 0.8541                 0.5244
 Alpha2 Fr= 1--      0.0000                 0.0003                 0.0256
 Beta2  Fr= 1--      0.4331                 0.4649                 0.2595
 AlphaG Fr= 1--      0.0000                 0.0011                 0.1079
 Gamma2 Fr= 1--      0.1388                 0.0777                -2.4518
 Delta2 Fr= 1--      3.4655                 2.9246                -1.4513
 Raman1 Fr= 1--      12.129                 13.064                 11.876
 ROA1   Fr= 1--     124.223                101.050               -281.816
 CID1   Fr= 1--      10.242                  7.735                -23.730
 Raman2 Fr= 1--       5.198                  5.579                  3.114
 ROA2   Fr= 1--     -24.393                -21.532                -47.233
 CID2   Fr= 1--      -4.693                 -3.859                -15.168
 Raman3 Fr= 1--      10.396                 11.158                  6.228
 ROA3   Fr= 1--     124.223                101.050               -281.816
 CID3   Fr= 1--      11.950                  9.056                -45.250
 RC180  Fr= 1--       0.714                  0.708                  0.049
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.00  -0.03     0.04  -0.00  -0.04     0.04  -0.00  -0.04
     2   6    -0.16   0.04  -0.05     0.00   0.06  -0.00    -0.00   0.05  -0.01
     3   6    -0.06  -0.03  -0.01    -0.03   0.02  -0.05    -0.03   0.02  -0.05
     4   6     0.02  -0.05   0.20    -0.02   0.02  -0.06    -0.02   0.02  -0.05
     5   6     0.08  -0.00   0.03     0.11  -0.01   0.09     0.09  -0.01   0.08
     6   6     0.05   0.01  -0.06     0.04  -0.02   0.06     0.03  -0.02   0.05
     7   6    -0.05   0.12   0.01    -0.02   0.05   0.01    -0.02   0.05   0.01
     8   8     0.05  -0.03  -0.04    -0.05  -0.03   0.01    -0.04  -0.03   0.01
     9  29    -0.00  -0.01  -0.00     0.01  -0.00   0.00    -0.00   0.00   0.00
    10   8     0.01   0.07   0.05    -0.04   0.04  -0.04    -0.03   0.03  -0.04
    11   6    -0.00  -0.04  -0.21    -0.03  -0.05   0.23    -0.03  -0.04   0.20
    12   6     0.04  -0.08   0.01     0.03  -0.07  -0.02     0.02  -0.05  -0.02
    13   9     0.07  -0.02   0.14    -0.01   0.03   0.05    -0.01   0.03   0.03
    14   6     0.03  -0.05  -0.01     0.03  -0.03   0.01     0.03  -0.03   0.01
    15   6     0.01   0.03   0.00    -0.05  -0.01   0.01    -0.03  -0.00   0.00
    16   6    -0.02   0.01   0.03     0.01   0.02  -0.05     0.01   0.02  -0.03
    17   8     0.05  -0.03   0.05    -0.04  -0.03  -0.00     0.05   0.03   0.01
    18   6     0.02  -0.05  -0.21    -0.02   0.02   0.05     0.02  -0.02  -0.06
    19   6     0.08  -0.00  -0.03     0.09  -0.01  -0.07    -0.11   0.01   0.09
    20   6    -0.05   0.12  -0.01    -0.02   0.04  -0.01     0.03  -0.06   0.01
    21   6    -0.17   0.04   0.05     0.00   0.05  -0.00     0.00  -0.06  -0.01
    22   6    -0.07  -0.03   0.01    -0.03   0.02   0.04     0.03  -0.02  -0.06
    23   6    -0.02  -0.00   0.03     0.04  -0.00   0.04    -0.05   0.00  -0.05
    24   6     0.06   0.01   0.06     0.03  -0.01  -0.05    -0.04   0.02   0.06
    25   6    -0.02   0.01  -0.03     0.01   0.02   0.04    -0.01  -0.02  -0.04
    26   6     0.01   0.03  -0.00    -0.04  -0.01  -0.00     0.04   0.00   0.01
    27   6     0.03  -0.05   0.01     0.03  -0.03  -0.00    -0.03   0.04   0.01
    28   6    -0.00  -0.04   0.22    -0.03  -0.04  -0.18     0.03   0.05   0.24
    29   6     0.04  -0.09  -0.01     0.03  -0.06   0.02    -0.03   0.07  -0.02
    30   9     0.08  -0.02  -0.15    -0.01   0.03  -0.04     0.01  -0.03   0.04
    31   8     0.01   0.07  -0.05    -0.03   0.04   0.04     0.04  -0.04  -0.05
    32   9     0.01   0.05   0.05     0.09   0.02   0.09    -0.11  -0.02  -0.11
    33   9    -0.08  -0.01   0.03    -0.07  -0.03  -0.00     0.08   0.04   0.00
    34   9    -0.08  -0.00  -0.03    -0.08  -0.04   0.00    -0.07  -0.03   0.00
    35   9     0.01   0.05  -0.05     0.11   0.02  -0.11     0.09   0.02  -0.09
    36   1     0.08  -0.02   0.08    -0.10   0.09   0.19     0.12  -0.10  -0.22
    37   1     0.01   0.04   0.00    -0.14  -0.19  -0.18     0.17   0.23   0.23
    38   1     0.02  -0.07  -0.23     0.02  -0.09   0.17    -0.03   0.11  -0.20
    39   1     0.15   0.03   0.13    -0.13   0.04  -0.02     0.14  -0.05   0.00
    40   1    -0.16   0.06   0.03    -0.01   0.06  -0.07     0.03  -0.07   0.08
    41   1     0.01  -0.08  -0.03     0.02  -0.00   0.04    -0.02   0.01  -0.05
    42   1    -0.04  -0.10  -0.18     0.01  -0.01   0.00    -0.01   0.01   0.01
    43   1     0.05  -0.02   0.14     0.04   0.01   0.08    -0.05  -0.02  -0.11
    44   1     0.04  -0.02   0.00    -0.04  -0.04   0.01     0.04   0.05  -0.01
    45   1    -0.07  -0.05   0.01    -0.08  -0.05   0.01     0.10   0.07  -0.01
    46   1     0.11   0.03   0.00     0.02  -0.01  -0.00    -0.04   0.00   0.01
    47   1     0.00  -0.14   0.05     0.00  -0.20   0.10    -0.01   0.24  -0.12
    48   1    -0.04   0.04  -0.03    -0.06   0.10  -0.00     0.07  -0.11  -0.00
    49   1    -0.02  -0.08   0.04    -0.06   0.01   0.03     0.07  -0.02  -0.03
    50   1    -0.04  -0.09   0.18     0.01  -0.01  -0.00     0.01  -0.01   0.01
    51   1     0.01  -0.08   0.03     0.02  -0.00  -0.05     0.02  -0.00  -0.04
    52   1     0.05  -0.02  -0.13     0.04   0.02  -0.10     0.04   0.01  -0.09
    53   1     0.11   0.03  -0.00     0.03  -0.01   0.00     0.04  -0.00   0.00
    54   1    -0.07  -0.05  -0.01    -0.10  -0.06  -0.01    -0.09  -0.06  -0.01
    55   1     0.04  -0.02  -0.00    -0.05  -0.05  -0.01    -0.03  -0.04  -0.01
    56   1     0.02  -0.06   0.22     0.03  -0.11  -0.20     0.03  -0.09  -0.16
    57   1     0.14   0.03  -0.13    -0.16   0.05   0.02    -0.12   0.04   0.00
    58   1     0.01   0.04  -0.00    -0.17  -0.23   0.22    -0.14  -0.19   0.19
    59   1     0.08  -0.02  -0.08    -0.12   0.10  -0.22    -0.10   0.08  -0.18
    60   1    -0.16   0.05  -0.02    -0.02   0.07   0.09    -0.02   0.06   0.07
    61   1    -0.04   0.04   0.03    -0.08   0.12   0.00    -0.06   0.09  -0.00
    62   1     0.00  -0.13  -0.05     0.00  -0.24  -0.12     0.00  -0.19  -0.10
    63   1    -0.02  -0.08  -0.03    -0.07   0.02  -0.03    -0.06   0.02  -0.03
                     70                     71                     72
                      A                      A                      A
 Frequencies --    758.3131               760.4065               820.4215
 Red. masses --      3.6695                 3.4605                 3.2168
 Frc consts  --      1.2432                 1.1789                 1.2757
 IR Inten    --     10.5370                 4.5752                 2.9348
 RamAct Fr= 1--      0.4723                 4.9171                 1.1598
  Dep-P Fr= 1--      0.7499                 0.1957                 0.3642
  Dep-U Fr= 1--      0.8571                 0.3274                 0.5340
 Alpha2 Fr= 1--      0.0000                 0.0675                 0.0097
 Beta2  Fr= 1--      0.0675                 0.2683                 0.1032
 AlphaG Fr= 1--     -0.0000                -0.0179                -0.0101
 Gamma2 Fr= 1--      1.3955                -2.7131                -2.0054
 Delta2 Fr= 1--      1.3080                -1.9731                -1.2893
 Raman1 Fr= 1--       1.889                 19.668                  4.639
 ROA1   Fr= 1--     175.826               -323.598               -233.782
 CID1   Fr= 1--      93.064                -16.453                -50.393
 Raman2 Fr= 1--       0.810                  3.219                  1.239
 ROA2   Fr= 1--      23.029                -49.329                -37.816
 CID2   Fr= 1--      28.444                -15.323                -30.532
 Raman3 Fr= 1--       1.619                  6.439                  2.477
 ROA3   Fr= 1--     175.826               -323.598               -233.782
 CID3   Fr= 1--     108.586                -50.259                -94.377
 RC180  Fr= 1--       0.714                 -0.345                  0.068
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.03  -0.05    -0.03  -0.03  -0.04    -0.02  -0.01   0.00
     2   6    -0.13  -0.01  -0.10    -0.13  -0.01  -0.09     0.05   0.01   0.00
     3   6    -0.02   0.02  -0.04    -0.01   0.02  -0.04     0.02   0.11   0.00
     4   6     0.05  -0.01   0.00     0.06  -0.01   0.01     0.06   0.10   0.02
     5   6    -0.02  -0.01   0.03    -0.02  -0.01   0.02    -0.04   0.02  -0.04
     6   6    -0.02  -0.06   0.04    -0.02  -0.05   0.03    -0.08  -0.05   0.02
     7   6    -0.05   0.10   0.01    -0.04   0.10   0.01     0.02  -0.03  -0.01
     8   8     0.08  -0.02  -0.00     0.08  -0.02  -0.01     0.03  -0.04  -0.01
     9  29    -0.01   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    10   8     0.06  -0.01  -0.04     0.06  -0.01  -0.03    -0.04  -0.04  -0.01
    11   6     0.04  -0.01   0.15     0.04  -0.01   0.13    -0.02   0.11   0.03
    12   6    -0.02   0.03  -0.00    -0.02   0.03  -0.00     0.00  -0.02  -0.00
    13   9    -0.05   0.02  -0.08    -0.04   0.02  -0.08     0.03  -0.01   0.06
    14   6    -0.00  -0.02  -0.00    -0.00  -0.02  -0.01    -0.00  -0.03  -0.03
    15   6     0.04   0.04  -0.00     0.03   0.04  -0.00    -0.02  -0.01  -0.01
    16   6    -0.02   0.01   0.05    -0.02   0.01   0.05    -0.00  -0.01   0.01
    17   8     0.08  -0.02   0.00    -0.08   0.02  -0.01    -0.03   0.04  -0.01
    18   6     0.05  -0.01  -0.00    -0.06   0.01   0.01    -0.06  -0.10   0.02
    19   6    -0.02  -0.01  -0.03     0.02   0.01   0.02     0.04  -0.02  -0.04
    20   6    -0.05   0.10  -0.01     0.04  -0.10   0.01    -0.02   0.03  -0.01
    21   6    -0.13  -0.01   0.10     0.13   0.01  -0.09    -0.05  -0.01   0.00
    22   6    -0.02   0.02   0.04     0.01  -0.02  -0.04    -0.02  -0.11   0.00
    23   6    -0.02  -0.03   0.05     0.03   0.03  -0.04     0.02   0.01   0.00
    24   6    -0.02  -0.05  -0.04     0.02   0.05   0.03     0.08   0.05   0.02
    25   6    -0.02   0.01  -0.05     0.02  -0.01   0.05     0.00   0.01   0.01
    26   6     0.03   0.04   0.00    -0.03  -0.04  -0.00     0.02   0.01  -0.01
    27   6    -0.00  -0.02   0.00     0.00   0.02  -0.01     0.00   0.03  -0.03
    28   6     0.04  -0.01  -0.15    -0.04   0.01   0.13     0.02  -0.10   0.02
    29   6    -0.02   0.03   0.00     0.02  -0.03  -0.00    -0.00   0.02  -0.00
    30   9    -0.04   0.02   0.08     0.04  -0.02  -0.08    -0.03   0.01   0.06
    31   8     0.06  -0.01   0.03    -0.06   0.01  -0.03     0.04   0.04  -0.01
    32   9    -0.01  -0.02  -0.03     0.01   0.02   0.04    -0.05  -0.02  -0.05
    33   9     0.03   0.00  -0.01    -0.03  -0.00   0.01     0.07   0.06  -0.02
    34   9     0.03   0.00   0.01     0.03   0.00   0.01    -0.07  -0.07  -0.02
    35   9    -0.01  -0.02   0.03    -0.01  -0.02   0.04     0.05   0.02  -0.05
    36   1     0.07  -0.13  -0.15    -0.08   0.13   0.16    -0.12   0.20   0.33
    37   1     0.03   0.11  -0.03    -0.04  -0.13   0.02    -0.11  -0.28  -0.08
    38   1     0.01   0.05  -0.27    -0.01  -0.06   0.29     0.02  -0.24   0.08
    39   1     0.24   0.01   0.20    -0.25  -0.01  -0.20    -0.17   0.13  -0.01
    40   1    -0.17  -0.03   0.08     0.17   0.03  -0.09    -0.01   0.01  -0.00
    41   1     0.00  -0.06  -0.03    -0.00   0.06   0.04     0.01  -0.01   0.02
    42   1    -0.04  -0.08  -0.17     0.04   0.08   0.16    -0.01  -0.02  -0.03
    43   1     0.03  -0.01   0.08    -0.03   0.01  -0.08     0.02  -0.00   0.06
    44   1     0.10  -0.03  -0.00    -0.10   0.02   0.00     0.01   0.00  -0.00
    45   1    -0.08  -0.07   0.01     0.08   0.07  -0.01    -0.00  -0.00  -0.01
    46   1     0.18   0.03  -0.01    -0.17  -0.03   0.01     0.03   0.01  -0.01
    47   1     0.02   0.02  -0.01    -0.02  -0.02   0.01     0.02  -0.04   0.05
    48   1     0.04  -0.08   0.02    -0.04   0.08  -0.02    -0.02   0.06   0.02
    49   1     0.03  -0.00  -0.01    -0.03   0.01   0.01    -0.03   0.14  -0.02
    50   1    -0.04  -0.08   0.17    -0.04  -0.08   0.16     0.01   0.02  -0.03
    51   1     0.00  -0.06   0.03     0.00  -0.06   0.04    -0.01   0.01   0.02
    52   1     0.03  -0.01  -0.08     0.03  -0.01  -0.08    -0.02   0.00   0.06
    53   1     0.18   0.03   0.01     0.17   0.03   0.01    -0.03  -0.01  -0.01
    54   1    -0.09  -0.07  -0.01    -0.08  -0.07  -0.01     0.00   0.00  -0.01
    55   1     0.10  -0.03   0.00     0.10  -0.02   0.00    -0.01  -0.00  -0.00
    56   1     0.01   0.05   0.27     0.00   0.06   0.28    -0.02   0.24   0.08
    57   1     0.24   0.01  -0.21     0.25   0.01  -0.20     0.17  -0.13  -0.01
    58   1     0.03   0.12   0.03     0.04   0.13   0.02     0.11   0.28  -0.08
    59   1     0.07  -0.13   0.15     0.08  -0.13   0.16     0.12  -0.21   0.33
    60   1    -0.17  -0.03  -0.08    -0.17  -0.03  -0.09     0.01  -0.01  -0.00
    61   1     0.04  -0.08  -0.02     0.04  -0.08  -0.02     0.02  -0.06   0.02
    62   1     0.02   0.02   0.01     0.02   0.02   0.01    -0.02   0.04   0.05
    63   1     0.03  -0.00   0.01     0.03  -0.01   0.01     0.03  -0.14  -0.02
                     73                     74                     75
                      A                      A                      A
 Frequencies --    822.1701               834.3695               834.5893
 Red. masses --      3.0698                 4.9944                 4.8930
 Frc consts  --      1.2226                 2.0486                 2.0080
 IR Inten    --     49.2637                 3.1925                11.8175
 RamAct Fr= 1--      0.4528                 3.3216                 0.1135
  Dep-P Fr= 1--      0.7500                 0.7500                 0.3108
  Dep-U Fr= 1--      0.8571                 0.8571                 0.4742
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0011
 Beta2  Fr= 1--      0.0647                 0.4745                 0.0090
 AlphaG Fr= 1--     -0.0000                 0.0000                 0.0025
 Gamma2 Fr= 1--      2.1700                 3.2641                 0.0225
 Delta2 Fr= 1--     -0.0077                 0.2993                -0.2046
 Raman1 Fr= 1--       1.811                 13.286                  0.454
 ROA1   Fr= 1--     208.077                322.928                 -4.384
 CID1   Fr= 1--     114.891                 24.305                 -9.659
 Raman2 Fr= 1--       0.776                  5.694                  0.108
 ROA2   Fr= 1--      52.143                 75.943                  2.178
 CID2   Fr= 1--      67.180                 13.337                 20.239
 Raman3 Fr= 1--       1.552                 11.388                  0.215
 ROA3   Fr= 1--     208.077                322.928                 -4.384
 CID3   Fr= 1--     134.042                 28.356                -20.367
 RC180  Fr= 1--       0.714                  0.714                 -0.052
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.01   0.00     0.03  -0.02  -0.07    -0.03   0.02   0.07
     2   6     0.05   0.01   0.00    -0.00  -0.07  -0.07     0.00   0.07   0.07
     3   6     0.02   0.11  -0.00    -0.00   0.00   0.20     0.00   0.00  -0.20
     4   6     0.06   0.10   0.03     0.01   0.06  -0.23    -0.01  -0.06   0.23
     5   6    -0.04   0.02  -0.04     0.02   0.01  -0.01    -0.03  -0.01   0.01
     6   6    -0.08  -0.05   0.02    -0.01  -0.05   0.16     0.01   0.05  -0.16
     7   6     0.02  -0.03  -0.01    -0.03   0.06   0.00     0.03  -0.06  -0.00
     8   8     0.03  -0.04  -0.01    -0.01  -0.02   0.05     0.01   0.02  -0.05
     9  29    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    10   8    -0.04  -0.04  -0.01     0.00  -0.01   0.03    -0.01   0.01  -0.03
    11   6    -0.02   0.10   0.03     0.00   0.05  -0.14    -0.00  -0.04   0.14
    12   6     0.00  -0.02  -0.00     0.00  -0.00  -0.01    -0.00   0.00   0.01
    13   9     0.03  -0.01   0.06     0.03  -0.02   0.03    -0.02   0.01  -0.03
    14   6    -0.00  -0.03  -0.03     0.01   0.00  -0.01    -0.01  -0.00   0.01
    15   6    -0.02  -0.01  -0.01     0.01   0.03   0.00    -0.01  -0.03  -0.00
    16   6    -0.00  -0.01   0.01    -0.01   0.01   0.02     0.01  -0.01  -0.02
    17   8     0.03  -0.04   0.01    -0.01  -0.02  -0.05    -0.01  -0.02  -0.05
    18   6     0.06   0.10  -0.03     0.01   0.07   0.23     0.01   0.06   0.22
    19   6    -0.04   0.02   0.04     0.02   0.01   0.01     0.03   0.01   0.01
    20   6     0.02  -0.03   0.01    -0.03   0.06  -0.00    -0.03   0.06  -0.00
    21   6     0.05   0.01  -0.00    -0.00  -0.07   0.07    -0.00  -0.07   0.07
    22   6     0.02   0.11   0.00    -0.00   0.00  -0.20    -0.00  -0.00  -0.19
    23   6    -0.02  -0.01  -0.00     0.03  -0.02   0.07     0.03  -0.02   0.07
    24   6    -0.08  -0.05  -0.02    -0.01  -0.06  -0.17    -0.01  -0.05  -0.16
    25   6    -0.00  -0.01  -0.01    -0.01   0.01  -0.02    -0.01   0.01  -0.02
    26   6    -0.02  -0.01   0.01     0.01   0.03  -0.00     0.01   0.03  -0.00
    27   6    -0.00  -0.03   0.03     0.01   0.00   0.01     0.01   0.00   0.01
    28   6    -0.02   0.10  -0.03     0.00   0.05   0.14     0.00   0.04   0.14
    29   6     0.00  -0.02   0.00     0.00  -0.00   0.01     0.00  -0.00   0.01
    30   9     0.03  -0.01  -0.06     0.03  -0.02  -0.03     0.02  -0.01  -0.03
    31   8    -0.04  -0.04   0.01     0.00  -0.01  -0.03     0.00  -0.01  -0.03
    32   9     0.05   0.01   0.05    -0.01   0.01  -0.01    -0.01   0.01  -0.01
    33   9    -0.07  -0.06   0.02    -0.01  -0.01   0.01    -0.01  -0.01   0.01
    34   9    -0.07  -0.06  -0.02    -0.01  -0.01  -0.01     0.01   0.01   0.01
    35   9     0.05   0.01  -0.05    -0.01   0.01   0.01     0.01  -0.01  -0.01
    36   1     0.13  -0.21  -0.33    -0.14   0.04   0.03    -0.14   0.05   0.04
    37   1     0.11   0.29   0.08    -0.15  -0.17  -0.28    -0.15  -0.18  -0.27
    38   1    -0.02   0.24  -0.09     0.03   0.03   0.02     0.03   0.02   0.02
    39   1     0.18  -0.13   0.01     0.05   0.17   0.21     0.04   0.18   0.21
    40   1     0.02  -0.01   0.00    -0.02  -0.07   0.03    -0.02  -0.07   0.02
    41   1    -0.01   0.01  -0.02     0.01  -0.04  -0.02     0.01  -0.04  -0.02
    42   1     0.01   0.02   0.03    -0.01  -0.04  -0.09    -0.01  -0.05  -0.09
    43   1    -0.02   0.00  -0.06     0.04   0.00   0.08     0.04   0.00   0.08
    44   1    -0.01  -0.00   0.00     0.06  -0.05   0.00     0.06  -0.05   0.00
    45   1     0.00   0.00   0.01    -0.12  -0.09   0.02    -0.11  -0.09   0.02
    46   1    -0.03  -0.01   0.01     0.17   0.02  -0.02     0.17   0.02  -0.02
    47   1    -0.02   0.04  -0.05    -0.02   0.01  -0.03    -0.02   0.01  -0.03
    48   1     0.01  -0.05  -0.02    -0.01   0.02  -0.02    -0.01   0.02  -0.02
    49   1     0.03  -0.14   0.03     0.02  -0.08   0.01     0.02  -0.07   0.01
    50   1     0.01   0.02  -0.03    -0.01  -0.04   0.09     0.01   0.05  -0.10
    51   1    -0.01   0.01   0.02     0.01  -0.04   0.02    -0.01   0.04  -0.02
    52   1    -0.02   0.00   0.06     0.04   0.00  -0.08    -0.04  -0.00   0.08
    53   1    -0.03  -0.01  -0.01     0.17   0.02   0.02    -0.17  -0.02  -0.02
    54   1     0.00   0.00  -0.01    -0.12  -0.09  -0.02     0.12   0.09   0.02
    55   1    -0.01  -0.00  -0.00     0.06  -0.05  -0.00    -0.07   0.05   0.00
    56   1    -0.02   0.24   0.09     0.03   0.03  -0.01    -0.03  -0.02   0.02
    57   1     0.18  -0.13  -0.01     0.05   0.17  -0.21    -0.04  -0.18   0.21
    58   1     0.11   0.29  -0.08    -0.15  -0.17   0.27     0.15   0.18  -0.28
    59   1     0.13  -0.21   0.32    -0.14   0.04  -0.03     0.14  -0.05   0.04
    60   1     0.02  -0.01  -0.00    -0.02  -0.07  -0.02     0.02   0.07   0.03
    61   1     0.01  -0.05   0.02    -0.01   0.02   0.02     0.01  -0.02  -0.02
    62   1    -0.02   0.04   0.05    -0.02   0.01   0.03     0.02  -0.01  -0.03
    63   1     0.03  -0.14  -0.03     0.02  -0.08  -0.01    -0.02   0.08   0.01
                     76                     77                     78
                      A                      A                      A
 Frequencies --    866.0888               866.1979               883.6098
 Red. masses --      1.6826                 1.6615                 2.8311
 Frc consts  --      0.7436                 0.7345                 1.3024
 IR Inten    --      6.5753                 0.4193                 2.3271
 RamAct Fr= 1--      0.7780                 1.5181                 2.0971
  Dep-P Fr= 1--      0.7469                 0.5728                 0.7500
  Dep-U Fr= 1--      0.8551                 0.7284                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0051                 0.0000
 Beta2  Fr= 1--      0.1109                 0.1843                 0.2996
 AlphaG Fr= 1--      0.0002                 0.0279                 0.0002
 Gamma2 Fr= 1--      2.8724                -0.9849                 4.0338
 Delta2 Fr= 1--     -0.2779                -0.9541                 1.5310
 Raman1 Fr= 1--       3.112                  6.072                  8.388
 ROA1   Fr= 1--     266.852               -125.079                436.241
 CID1   Fr= 1--      85.754                -20.598                 52.006
 Raman2 Fr= 1--       1.330                  2.212                  3.595
 ROA2   Fr= 1--      71.160                -16.005                 84.564
 CID2   Fr= 1--      53.485                 -7.237                 23.523
 Raman3 Fr= 1--       2.661                  4.423                  7.190
 ROA3   Fr= 1--     266.852               -125.079                436.241
 CID3   Fr= 1--     100.285                -28.279                 60.675
 RC180  Fr= 1--       0.710                  0.457                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.02  -0.03     0.03   0.02   0.02     0.02  -0.01  -0.04
     2   6     0.04   0.02   0.02    -0.03  -0.02  -0.02    -0.05   0.08   0.03
     3   6     0.01  -0.04   0.01    -0.01   0.03  -0.01    -0.02   0.03   0.05
     4   6    -0.03  -0.01  -0.06     0.03   0.01   0.05     0.03   0.01  -0.08
     5   6     0.08  -0.01   0.06    -0.07   0.01  -0.04    -0.06  -0.05   0.10
     6   6    -0.03  -0.00  -0.04     0.02   0.00   0.04     0.02   0.02  -0.08
     7   6     0.00   0.01   0.00    -0.00  -0.01  -0.00     0.01  -0.02   0.01
     8   8    -0.05   0.01   0.01     0.04  -0.01  -0.01     0.05  -0.01   0.02
     9  29     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    10   8    -0.01   0.01   0.01     0.01  -0.01  -0.01     0.00  -0.01   0.01
    11   6    -0.00  -0.04  -0.02     0.00   0.03   0.01     0.00   0.03  -0.02
    12   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    13   9    -0.01   0.00  -0.01     0.00  -0.00   0.01     0.01  -0.00   0.01
    14   6     0.03   0.01   0.03    -0.03  -0.01  -0.03    -0.03  -0.03   0.04
    15   6    -0.03  -0.01  -0.01     0.02   0.01   0.00     0.01  -0.00   0.00
    16   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.02  -0.01  -0.02
    17   8    -0.04   0.01  -0.01    -0.05   0.01  -0.01    -0.07   0.02   0.02
    18   6    -0.03  -0.01   0.05    -0.03  -0.01   0.06    -0.04  -0.01  -0.11
    19   6     0.07  -0.01  -0.05     0.08  -0.01  -0.05     0.09   0.07   0.14
    20   6     0.00   0.01  -0.00     0.00   0.01  -0.00    -0.01   0.03   0.01
    21   6     0.03   0.02  -0.02     0.04   0.02  -0.02     0.08  -0.11   0.04
    22   6     0.01  -0.04  -0.01     0.01  -0.04  -0.01     0.03  -0.04   0.07
    23   6    -0.04  -0.02   0.02    -0.04  -0.02   0.03    -0.03   0.01  -0.05
    24   6    -0.02  -0.00   0.04    -0.03  -0.00   0.04    -0.03  -0.02  -0.11
    25   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.03   0.02  -0.03
    26   6    -0.02  -0.01   0.00    -0.03  -0.01   0.00    -0.01   0.01   0.00
    27   6     0.03   0.01  -0.03     0.03   0.01  -0.03     0.04   0.04   0.06
    28   6    -0.00  -0.03   0.02    -0.00  -0.03   0.02    -0.00  -0.04  -0.03
    29   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    30   9    -0.01   0.00   0.01    -0.01   0.00   0.01    -0.01   0.00   0.01
    31   8    -0.00   0.01  -0.00    -0.01   0.01  -0.01    -0.00   0.01   0.01
    32   9    -0.01  -0.00  -0.01    -0.01  -0.00  -0.01    -0.00  -0.00  -0.00
    33   9     0.01   0.02  -0.00     0.01   0.02  -0.00     0.01   0.02  -0.01
    34   9     0.02   0.02   0.01    -0.01  -0.01  -0.00    -0.01  -0.01  -0.00
    35   9    -0.01  -0.00   0.01     0.01   0.00  -0.00     0.00   0.00  -0.00
    36   1     0.17  -0.17  -0.03     0.20  -0.20  -0.04     0.02  -0.07  -0.03
    37   1    -0.00   0.27  -0.01    -0.00   0.32  -0.02    -0.02  -0.00  -0.11
    38   1    -0.02   0.20  -0.17    -0.03   0.24  -0.20    -0.04   0.13   0.02
    39   1     0.24  -0.16   0.06     0.29  -0.19   0.07    -0.03   0.11   0.01
    40   1     0.11   0.07  -0.04     0.13   0.08  -0.05     0.12  -0.10   0.09
    41   1     0.00   0.00   0.02     0.00   0.00   0.02     0.02  -0.08  -0.09
    42   1    -0.00  -0.00  -0.01    -0.01  -0.00  -0.01     0.01  -0.08  -0.15
    43   1     0.00  -0.00   0.01     0.00  -0.00   0.01     0.07   0.00   0.14
    44   1    -0.03  -0.01   0.01    -0.04  -0.02   0.01    -0.01  -0.02   0.01
    45   1    -0.02  -0.01   0.01    -0.03  -0.01   0.01    -0.02  -0.02   0.02
    46   1    -0.01  -0.00   0.01    -0.01  -0.00   0.02     0.05   0.01   0.01
    47   1     0.00  -0.17   0.09     0.00  -0.20   0.11    -0.12   0.04  -0.15
    48   1    -0.08   0.16  -0.02    -0.09   0.19  -0.02    -0.13   0.26  -0.25
    49   1    -0.08   0.07   0.01    -0.10   0.07   0.02     0.02  -0.46   0.10
    50   1    -0.01  -0.00   0.01     0.00   0.00  -0.01    -0.00   0.05  -0.11
    51   1     0.00   0.00  -0.02    -0.00  -0.00   0.02    -0.01   0.06  -0.06
    52   1     0.00  -0.00  -0.01    -0.00   0.00   0.01    -0.05  -0.00   0.10
    53   1    -0.01  -0.00  -0.02     0.01   0.00   0.01    -0.03  -0.01   0.01
    54   1    -0.03  -0.01  -0.01     0.02   0.01   0.01     0.02   0.01   0.02
    55   1    -0.03  -0.02  -0.01     0.03   0.01   0.01     0.01   0.01   0.01
    56   1    -0.03   0.24   0.21     0.02  -0.21  -0.17     0.03  -0.09   0.01
    57   1     0.29  -0.19  -0.08    -0.24   0.16   0.06     0.02  -0.08   0.01
    58   1    -0.00   0.32   0.02     0.00  -0.27  -0.01     0.02   0.00  -0.07
    59   1     0.20  -0.20   0.04    -0.17   0.17  -0.03    -0.01   0.05  -0.02
    60   1     0.13   0.08   0.04    -0.11  -0.07  -0.04    -0.09   0.07   0.06
    61   1    -0.09   0.19   0.02     0.08  -0.16  -0.02     0.09  -0.18  -0.17
    62   1     0.00  -0.20  -0.11    -0.00   0.17   0.09     0.09  -0.03  -0.10
    63   1    -0.10   0.08  -0.02     0.08  -0.06   0.01    -0.01   0.32   0.07
                     79                     80                     81
                      A                      A                      A
 Frequencies --    883.8071               904.6125               904.7009
 Red. masses --      2.8365                 2.9155                 2.9145
 Frc consts  --      1.3054                 1.4057                 1.4055
 IR Inten    --      4.3824                 1.0700                 1.5170
 RamAct Fr= 1--      4.3727                19.3948                 5.4754
  Dep-P Fr= 1--      0.7500                 0.0469                 0.3469
  Dep-U Fr= 1--      0.8571                 0.0897                 0.5151
 Alpha2 Fr= 1--      0.0000                 0.3859                 0.0485
 Beta2  Fr= 1--      0.6247                 0.2898                 0.4701
 AlphaG Fr= 1--      0.0000                 0.2604                 0.0325
 Gamma2 Fr= 1--     -4.7671                -5.3370                 2.5482
 Delta2 Fr= 1--     -1.4858                -1.7449                 1.3279
 Raman1 Fr= 1--      17.491                 77.579                 21.901
 ROA1   Fr= 1--    -505.190               -568.184                287.121
 CID1   Fr= 1--     -28.883                 -7.324                 13.110
 Raman2 Fr= 1--       7.496                  3.478                  5.641
 ROA2   Fr= 1--    -102.524               -114.128                 50.533
 CID2   Fr= 1--     -13.677                -32.817                  8.958
 Raman3 Fr= 1--      14.992                  6.955                 11.282
 ROA3   Fr= 1--    -505.190               -568.184                287.121
 CID3   Fr= 1--     -33.697                -81.691                 25.449
 RC180  Fr= 1--       0.714                 -0.821                  0.030
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.01  -0.05     0.05  -0.04  -0.06    -0.10   0.07   0.12
     2   6    -0.08   0.11   0.04    -0.00  -0.10   0.06     0.01   0.21  -0.14
     3   6    -0.03   0.04   0.07    -0.00   0.01  -0.01     0.01  -0.02   0.03
     4   6     0.05   0.01  -0.11     0.00   0.01   0.02    -0.00  -0.02  -0.03
     5   6    -0.09  -0.07   0.14     0.00  -0.00   0.00    -0.00   0.01   0.00
     6   6     0.03   0.03  -0.11    -0.04   0.09  -0.02     0.08  -0.18   0.04
     7   6     0.02  -0.03   0.01    -0.01   0.01  -0.01     0.02  -0.02   0.02
     8   8     0.07  -0.02   0.02    -0.00  -0.00  -0.00     0.01   0.00   0.00
     9  29    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    10   8     0.00  -0.01   0.01     0.01  -0.00  -0.00    -0.02   0.00   0.00
    11   6    -0.00   0.04  -0.03     0.00   0.01   0.01    -0.01  -0.02  -0.01
    12   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.01
    13   9     0.01  -0.00   0.01     0.00   0.00   0.00    -0.00  -0.00  -0.00
    14   6    -0.04  -0.04   0.06     0.00  -0.01   0.01    -0.00   0.01  -0.01
    15   6     0.01  -0.01   0.00     0.01   0.01  -0.00    -0.02  -0.02   0.00
    16   6     0.03  -0.02  -0.03    -0.01   0.01   0.01     0.02  -0.02  -0.01
    17   8     0.05  -0.02  -0.02     0.01   0.00  -0.00     0.00   0.00  -0.00
    18   6     0.03   0.01   0.08    -0.01  -0.02   0.03    -0.00  -0.01   0.02
    19   6    -0.06  -0.05  -0.10    -0.00   0.01   0.00    -0.00   0.00  -0.00
    20   6     0.01  -0.02  -0.01     0.02  -0.02  -0.02     0.01  -0.01  -0.01
    21   6    -0.05   0.08  -0.03     0.01   0.21   0.14     0.00   0.10   0.07
    22   6    -0.02   0.03  -0.05     0.01  -0.02  -0.03     0.00  -0.01  -0.01
    23   6     0.02  -0.01   0.04    -0.10   0.07  -0.12    -0.05   0.04  -0.06
    24   6     0.02   0.02   0.08     0.08  -0.18  -0.04     0.04  -0.09  -0.02
    25   6     0.02  -0.01   0.02     0.02  -0.02   0.01     0.01  -0.01   0.01
    26   6     0.01  -0.00  -0.00    -0.02  -0.02  -0.00    -0.01  -0.01  -0.00
    27   6    -0.03  -0.03  -0.04    -0.00   0.01   0.01    -0.00   0.00   0.00
    28   6    -0.00   0.03   0.02    -0.01  -0.02   0.01    -0.00  -0.01   0.01
    29   6     0.00   0.00   0.00     0.00  -0.00  -0.01     0.00  -0.00  -0.00
    30   9     0.01  -0.00  -0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    31   8     0.00  -0.01  -0.01    -0.02   0.00  -0.00    -0.01   0.00  -0.00
    32   9     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    33   9    -0.01  -0.01   0.00     0.01   0.01  -0.00     0.00   0.00  -0.00
    34   9    -0.01  -0.02  -0.01    -0.00  -0.00  -0.00     0.01   0.01   0.00
    35   9     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    36   1    -0.01   0.05   0.02     0.10  -0.22   0.11     0.05  -0.10   0.05
    37   1     0.02   0.00   0.08     0.12  -0.30   0.02     0.06  -0.14   0.01
    38   1     0.03  -0.09  -0.01    -0.09  -0.03  -0.22    -0.04  -0.02  -0.10
    39   1     0.02  -0.08  -0.01    -0.06   0.03  -0.13    -0.03   0.02  -0.06
    40   1    -0.09   0.07  -0.06     0.20   0.25   0.47     0.10   0.12   0.22
    41   1    -0.01   0.06   0.06    -0.02   0.08   0.01    -0.01   0.04   0.00
    42   1    -0.00   0.05   0.10     0.02   0.09   0.17     0.01   0.04   0.08
    43   1    -0.05  -0.00  -0.10    -0.05   0.02  -0.16    -0.02   0.01  -0.08
    44   1     0.01   0.01  -0.01    -0.08  -0.02   0.02    -0.04  -0.01   0.01
    45   1     0.02   0.01  -0.02     0.03   0.01   0.02     0.01   0.01   0.01
    46   1    -0.03  -0.01  -0.01    -0.01   0.01   0.03    -0.01   0.00   0.01
    47   1     0.09  -0.03   0.10    -0.03   0.08  -0.07    -0.01   0.04  -0.03
    48   1     0.09  -0.18   0.17     0.00  -0.00  -0.05     0.00  -0.00  -0.02
    49   1    -0.01   0.32  -0.07     0.03  -0.09   0.00     0.01  -0.04   0.00
    50   1    -0.01   0.08  -0.15    -0.01  -0.04   0.08     0.02   0.09  -0.17
    51   1    -0.02   0.08  -0.09     0.01  -0.04   0.00    -0.02   0.08  -0.01
    52   1    -0.07  -0.00   0.14     0.02  -0.01  -0.08    -0.05   0.02   0.16
    53   1    -0.05  -0.01   0.01     0.01  -0.00   0.01    -0.01   0.01  -0.03
    54   1     0.02   0.02   0.02    -0.01  -0.01   0.01     0.03   0.01  -0.02
    55   1     0.01   0.02   0.01     0.04   0.01   0.01    -0.08  -0.02  -0.02
    56   1     0.04  -0.13   0.01     0.04   0.01  -0.10    -0.09  -0.03   0.22
    57   1     0.03  -0.11   0.01     0.03  -0.01  -0.06    -0.06   0.03   0.13
    58   1     0.02   0.00  -0.11    -0.05   0.14   0.01     0.12  -0.30  -0.02
    59   1    -0.02   0.07  -0.03    -0.05   0.11   0.05     0.10  -0.22  -0.11
    60   1    -0.12   0.10   0.09    -0.10  -0.12   0.22     0.20   0.25  -0.47
    61   1     0.13  -0.26  -0.25     0.00  -0.00  -0.03     0.00  -0.00   0.05
    62   1     0.12  -0.04  -0.15     0.01  -0.04  -0.03    -0.03   0.08   0.07
    63   1    -0.02   0.46   0.10    -0.01   0.05   0.00     0.03  -0.09  -0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --    934.3990               934.4239               953.8921
 Red. masses --      2.3325                 2.3319                 1.9979
 Frc consts  --      1.1999                 1.1996                 1.0711
 IR Inten    --      3.3497                21.6825                 1.8123
 RamAct Fr= 1--      2.8775                 2.4805                 1.6708
  Dep-P Fr= 1--      0.1274                 0.6085                 0.7049
  Dep-U Fr= 1--      0.2259                 0.7566                 0.8269
 Alpha2 Fr= 1--      0.0471                 0.0065                 0.0013
 Beta2  Fr= 1--      0.1084                 0.3128                 0.2303
 AlphaG Fr= 1--     -0.1286                -0.0179                 0.0245
 Gamma2 Fr= 1--     -1.8880                 1.5835                 0.4258
 Delta2 Fr= 1--     -0.8579                 2.0397                 0.7667
 Raman1 Fr= 1--      11.510                  9.922                  6.683
 ROA1   Fr= 1--    -208.700                217.286                 65.412
 CID1   Fr= 1--     -18.132                 21.900                  9.788
 Raman2 Fr= 1--       1.300                  3.753                  2.763
 ROA2   Fr= 1--     -38.449                 21.687                  4.085
 CID2   Fr= 1--     -29.570                  5.778                  1.478
 Raman3 Fr= 1--       2.600                  7.507                  5.526
 ROA3   Fr= 1--    -208.700                217.286                 65.412
 CID3   Fr= 1--     -80.254                 28.946                 11.836
 RC180  Fr= 1--      -0.548                  0.513                  0.654
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.00   0.05     0.07  -0.01  -0.11    -0.00   0.02  -0.02
     2   6     0.04  -0.07  -0.04    -0.09   0.15   0.08    -0.01  -0.02   0.01
     3   6     0.03   0.01  -0.00    -0.06  -0.02   0.00    -0.01   0.00  -0.00
     4   6    -0.00   0.01   0.00     0.01  -0.03  -0.01     0.00  -0.00  -0.00
     5   6    -0.01  -0.01   0.03     0.03   0.02  -0.06    -0.00  -0.00  -0.00
     6   6     0.02   0.02  -0.04    -0.05  -0.04   0.09     0.00  -0.02  -0.01
     7   6    -0.01   0.02   0.00     0.02  -0.05  -0.01     0.03   0.01   0.06
     8   8    -0.02   0.01  -0.00     0.04  -0.01   0.00    -0.00  -0.00   0.00
     9  29    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    10   8    -0.01  -0.01  -0.00     0.01   0.03   0.00     0.00   0.00   0.00
    11   6    -0.00   0.03   0.01     0.00  -0.07  -0.01    -0.00  -0.00  -0.00
    12   6    -0.01   0.01   0.00     0.02  -0.02  -0.01     0.00  -0.00  -0.00
    13   9     0.01  -0.00   0.01    -0.01   0.01  -0.01    -0.00   0.00  -0.00
    14   6    -0.00  -0.02   0.02     0.01   0.03  -0.05    -0.01   0.01  -0.01
    15   6    -0.01   0.02   0.00     0.03  -0.05  -0.01    -0.03  -0.02   0.03
    16   6    -0.00   0.01   0.00     0.01  -0.03  -0.00     0.04   0.03  -0.03
    17   8     0.04  -0.01  -0.00     0.02  -0.00  -0.00     0.00   0.00   0.00
    18   6     0.01  -0.03   0.01     0.00  -0.02   0.00    -0.00   0.01  -0.00
    19   6     0.03   0.02   0.06     0.01   0.01   0.03     0.01   0.01  -0.01
    20   6     0.02  -0.05   0.01     0.01  -0.02   0.00    -0.07  -0.02   0.15
    21   6    -0.09   0.15  -0.08    -0.04   0.07  -0.04     0.03   0.05   0.04
    22   6    -0.06  -0.02  -0.00    -0.03  -0.01  -0.00     0.02  -0.00  -0.00
    23   6     0.07  -0.01   0.11     0.03  -0.00   0.05     0.00  -0.05  -0.05
    24   6    -0.05  -0.04  -0.09    -0.02  -0.02  -0.04    -0.01   0.04  -0.02
    25   6     0.01  -0.03   0.01     0.00  -0.01   0.00    -0.09  -0.07  -0.08
    26   6     0.03  -0.05   0.01     0.01  -0.02   0.00     0.08   0.04   0.08
    27   6     0.01   0.03   0.05     0.00   0.02   0.02     0.02  -0.01  -0.02
    28   6     0.00  -0.07   0.01     0.00  -0.03   0.01     0.00   0.01  -0.00
    29   6     0.02  -0.02   0.01     0.01  -0.01   0.00    -0.00   0.00  -0.00
    30   9    -0.01   0.01   0.02    -0.00   0.00   0.01     0.00  -0.00  -0.00
    31   8     0.01   0.02  -0.00     0.00   0.01  -0.00    -0.01  -0.00   0.00
    32   9    -0.02   0.00  -0.01    -0.01  -0.00  -0.01     0.00  -0.00   0.00
    33   9     0.02   0.02  -0.01     0.01   0.01  -0.00    -0.00  -0.00   0.00
    34   9    -0.01  -0.01  -0.00     0.02   0.02   0.01     0.00   0.00   0.00
    35   9     0.01  -0.00  -0.01    -0.02   0.00   0.01    -0.00   0.00   0.00
    36   1    -0.06  -0.02  -0.18    -0.03  -0.01  -0.08    -0.03   0.05   0.02
    37   1    -0.06   0.10  -0.15    -0.03   0.05  -0.07    -0.03  -0.03  -0.03
    38   1     0.06   0.08   0.13     0.03   0.04   0.06     0.00  -0.12  -0.05
    39   1     0.05  -0.06   0.07     0.02  -0.03   0.03    -0.04  -0.07  -0.08
    40   1    -0.14   0.20  -0.39    -0.06   0.09  -0.18     0.13   0.15  -0.11
    41   1    -0.02   0.05  -0.04    -0.01   0.02  -0.02    -0.08  -0.05  -0.48
    42   1     0.03   0.07   0.15     0.01   0.03   0.07     0.11   0.07   0.11
    43   1    -0.03   0.02  -0.14    -0.01   0.01  -0.06     0.07   0.07  -0.08
    44   1    -0.06   0.11  -0.02    -0.03   0.05  -0.01     0.48   0.19  -0.13
    45   1     0.24   0.18  -0.05     0.11   0.08  -0.02    -0.10  -0.03  -0.12
    46   1    -0.28  -0.02   0.04    -0.13  -0.01   0.02    -0.15  -0.10  -0.10
    47   1    -0.08   0.15  -0.16    -0.04   0.07  -0.07     0.02  -0.17   0.10
    48   1    -0.03   0.07  -0.15    -0.01   0.03  -0.07    -0.05   0.08   0.03
    49   1     0.06  -0.29   0.04     0.03  -0.13   0.02    -0.07   0.08   0.01
    50   1    -0.01  -0.03   0.07     0.03   0.07  -0.15    -0.04  -0.03   0.04
    51   1     0.01  -0.02  -0.02    -0.02   0.05   0.04     0.03   0.02  -0.19
    52   1     0.01  -0.01  -0.06    -0.03   0.02   0.14    -0.03  -0.03  -0.03
    53   1     0.13   0.01   0.02    -0.28  -0.02  -0.04     0.06   0.04  -0.04
    54   1    -0.11  -0.08  -0.02     0.24   0.18   0.05     0.04   0.01  -0.05
    55   1     0.03  -0.05  -0.01    -0.06   0.11   0.02    -0.19  -0.08  -0.05
    56   1    -0.03  -0.04   0.06     0.06   0.08  -0.13    -0.00   0.05  -0.02
    57   1    -0.02   0.03   0.03     0.05  -0.06  -0.07     0.02   0.03  -0.03
    58   1     0.03  -0.05  -0.07    -0.06   0.10   0.15     0.01   0.01  -0.01
    59   1     0.03   0.01  -0.08    -0.06  -0.02   0.18     0.01  -0.02   0.01
    60   1     0.06  -0.09  -0.18    -0.14   0.20   0.39    -0.05  -0.06  -0.04
    61   1     0.01  -0.03  -0.07    -0.03   0.07   0.15     0.02  -0.03   0.01
    62   1     0.04  -0.07  -0.07    -0.08   0.15   0.16    -0.01   0.07   0.04
    63   1    -0.03   0.13   0.02     0.06  -0.29  -0.04     0.03  -0.03   0.01
                     85                     86                     87
                      A                      A                      A
 Frequencies --    953.9033               961.3740               961.3922
 Red. masses --      1.9971                 1.3964                 1.3965
 Frc consts  --      1.0707                 0.7604                 0.7605
 IR Inten    --      3.2777                 0.5527                 0.3082
 RamAct Fr= 1--      3.0488                 1.4393                 3.3141
  Dep-P Fr= 1--      0.7455                 0.7492                 0.7491
  Dep-U Fr= 1--      0.8542                 0.8566                 0.8565
 Alpha2 Fr= 1--      0.0002                 0.0000                 0.0001
 Beta2  Fr= 1--      0.4341                 0.2055                 0.4731
 AlphaG Fr= 1--      0.0044                -0.0009                -0.0025
 Gamma2 Fr= 1--     -0.3376                -0.3086                 0.7434
 Delta2 Fr= 1--      1.0492                -0.6866                -0.0931
 Raman1 Fr= 1--      12.195                  5.757                 13.256
 ROA1   Fr= 1--       1.167                -51.601                 68.384
 CID1   Fr= 1--       0.096                 -8.963                  5.159
 Raman2 Fr= 1--       5.209                  2.466                  5.677
 ROA2   Fr= 1--     -16.495                 -1.915                 18.586
 CID2   Fr= 1--      -3.167                 -0.777                  3.274
 Raman3 Fr= 1--      10.417                  4.932                 11.355
 ROA3   Fr= 1--       1.167                -51.601                 68.384
 CID3   Fr= 1--       0.112                -10.462                  6.023
 RC180  Fr= 1--       0.708                  0.713                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.05  -0.05    -0.00   0.00  -0.00     0.00  -0.02   0.00
     2   6    -0.03  -0.05   0.04    -0.00  -0.00   0.00     0.01   0.00  -0.01
     3   6    -0.02   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     4   6     0.00  -0.01  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     5   6    -0.01  -0.01  -0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
     6   6     0.01  -0.04  -0.02     0.00  -0.00   0.00    -0.01   0.01  -0.00
     7   6     0.07   0.02   0.15     0.02   0.01  -0.01    -0.07  -0.03   0.04
     8   8    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     9  29    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    10   8     0.01   0.01   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    11   6     0.00  -0.01  -0.00     0.00  -0.00   0.00     0.00   0.01  -0.00
    12   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    13   9    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    14   6    -0.02   0.01  -0.02    -0.00   0.00  -0.00     0.00  -0.00   0.00
    15   6    -0.08  -0.04   0.08    -0.01  -0.00  -0.02     0.07   0.02   0.08
    16   6     0.09   0.07  -0.08     0.01   0.00   0.02    -0.07  -0.02  -0.09
    17   8    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    18   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    19   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    20   6     0.03   0.01  -0.06     0.07   0.03   0.04     0.02   0.01   0.01
    21   6    -0.01  -0.02  -0.01    -0.01  -0.00  -0.01    -0.00  -0.00  -0.00
    22   6    -0.01   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    23   6    -0.00   0.02   0.02    -0.00   0.01   0.00    -0.00   0.00   0.00
    24   6     0.00  -0.02   0.01     0.01  -0.01  -0.00     0.00  -0.00  -0.00
    25   6     0.04   0.03   0.03     0.07   0.02  -0.09     0.01   0.00  -0.02
    26   6    -0.03  -0.02  -0.03    -0.07  -0.02   0.08    -0.02  -0.00   0.02
    27   6    -0.01   0.01   0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
    28   6     0.00  -0.00   0.00    -0.00  -0.01  -0.00    -0.00  -0.00   0.00
    29   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    30   9    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    31   8     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    32   9    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    33   9     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    34   9     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    35   9    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    36   1     0.01  -0.02  -0.01    -0.01   0.00  -0.00    -0.00   0.00  -0.00
    37   1     0.01   0.01   0.01     0.01  -0.04   0.00     0.00  -0.01   0.00
    38   1    -0.00   0.05   0.02    -0.00   0.00   0.02    -0.00   0.00   0.00
    39   1     0.02   0.03   0.03    -0.03   0.04   0.01    -0.01   0.01   0.00
    40   1    -0.05  -0.06   0.04    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    41   1     0.03   0.02   0.19     0.02   0.06   0.46     0.01   0.01   0.10
    42   1    -0.04  -0.03  -0.04    -0.26  -0.10  -0.27    -0.06  -0.02  -0.06
    43   1    -0.03  -0.03   0.03    -0.23  -0.17  -0.23    -0.05  -0.04  -0.05
    44   1    -0.19  -0.08   0.05     0.34   0.14  -0.14     0.07   0.03  -0.03
    45   1     0.04   0.01   0.05    -0.29  -0.10  -0.14    -0.06  -0.02  -0.03
    46   1     0.06   0.04   0.04    -0.31  -0.19  -0.13    -0.07  -0.04  -0.03
    47   1    -0.01   0.07  -0.04    -0.01   0.02  -0.02    -0.00   0.00  -0.00
    48   1     0.02  -0.03  -0.01    -0.00   0.01  -0.02    -0.00   0.00  -0.00
    49   1     0.03  -0.03  -0.01     0.01  -0.03   0.00     0.00  -0.01   0.00
    50   1    -0.11  -0.07   0.11    -0.06  -0.02   0.06     0.26   0.10  -0.26
    51   1     0.08   0.05  -0.48     0.01   0.01  -0.10    -0.03  -0.06   0.46
    52   1    -0.06  -0.07  -0.09    -0.05  -0.04   0.05     0.24   0.17  -0.23
    53   1     0.15   0.10  -0.10    -0.07  -0.04   0.03     0.31   0.19  -0.13
    54   1     0.10   0.03  -0.12    -0.06  -0.02   0.03     0.29   0.10  -0.14
    55   1    -0.48  -0.19  -0.13     0.07   0.03   0.03    -0.34  -0.13  -0.14
    56   1    -0.00   0.12  -0.05    -0.00   0.00  -0.00     0.00  -0.00   0.02
    57   1     0.04   0.07  -0.08    -0.01   0.01  -0.00     0.03  -0.04   0.01
    58   1     0.03   0.03  -0.02     0.00  -0.01  -0.00    -0.01   0.04   0.00
    59   1     0.03  -0.05   0.02    -0.00   0.00   0.00     0.01  -0.00  -0.00
    60   1    -0.13  -0.15  -0.11    -0.00  -0.00  -0.00     0.00   0.00   0.00
    61   1     0.05  -0.08   0.03    -0.00   0.00   0.00     0.00  -0.00  -0.02
    62   1    -0.02   0.17   0.10    -0.00   0.00   0.00     0.01  -0.02  -0.02
    63   1     0.07  -0.08   0.01     0.00  -0.01  -0.00    -0.01   0.03   0.00
                     88                     89                     90
                      A                      A                      A
 Frequencies --    978.7393               978.7944              1022.1801
 Red. masses --      2.6010                 2.6022                 1.3730
 Frc consts  --      1.4680                 1.4688                 0.8453
 IR Inten    --      2.4532                 0.6822                 0.3864
 RamAct Fr= 1--      5.4572                 9.0117                 1.8988
  Dep-P Fr= 1--      0.7493                 0.7482                 0.5747
  Dep-U Fr= 1--      0.8567                 0.8560                 0.7299
 Alpha2 Fr= 1--      0.0001                 0.0003                 0.0063
 Beta2  Fr= 1--      0.7792                 1.2856                 0.2310
 AlphaG Fr= 1--      0.0002                 0.0010                 0.0114
 Gamma2 Fr= 1--      2.5065                -3.8960                 1.5120
 Delta2 Fr= 1--     -0.5913                -2.4185                 1.3037
 Raman1 Fr= 1--      21.829                 36.047                  7.595
 ROA1   Fr= 1--     221.703               -451.408                186.870
 CID1   Fr= 1--      10.156                -12.523                 24.604
 Raman2 Fr= 1--       9.350                 15.427                  2.772
 ROA2   Fr= 1--      64.887                -74.156                 25.858
 CID2   Fr= 1--       6.940                 -4.807                  9.329
 Raman3 Fr= 1--      18.700                 30.854                  5.544
 ROA3   Fr= 1--     221.703               -451.408                186.870
 CID3   Fr= 1--      11.856                -14.630                 33.709
 RC180  Fr= 1--       0.713                  0.712                  0.460
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.08  -0.01    -0.02   0.22  -0.03     0.00  -0.00   0.00
     2   6    -0.01  -0.03   0.04    -0.03  -0.08   0.12     0.00   0.00  -0.00
     3   6    -0.01   0.00  -0.00    -0.02   0.00  -0.00     0.00  -0.00   0.00
     4   6     0.00   0.01  -0.01     0.01   0.03  -0.02    -0.00  -0.00  -0.00
     5   6    -0.00  -0.01   0.01    -0.00  -0.04   0.03     0.00  -0.00   0.00
     6   6     0.02  -0.07  -0.02     0.04  -0.19  -0.07    -0.00   0.00   0.00
     7   6    -0.02  -0.01  -0.01    -0.05  -0.02  -0.03     0.00   0.00  -0.00
     8   8     0.00  -0.00   0.00     0.01  -0.01   0.00    -0.00   0.00   0.00
     9  29    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    10   8     0.00   0.00   0.00     0.01   0.00   0.00    -0.00  -0.00  -0.00
    11   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    12   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    13   9    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    14   6     0.01   0.01   0.01     0.02   0.02   0.04     0.00  -0.00   0.00
    15   6     0.02   0.00  -0.01     0.05   0.01  -0.03     0.00  -0.01  -0.00
    16   6    -0.02   0.01  -0.00    -0.04   0.02  -0.00    -0.00   0.01   0.00
    17   8     0.01  -0.01  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    18   6     0.01   0.03   0.02    -0.01  -0.01  -0.01    -0.01  -0.01   0.02
    19   6    -0.00  -0.04  -0.03     0.00   0.01   0.01     0.00  -0.01  -0.00
    20   6    -0.05  -0.02   0.03     0.02   0.01  -0.01     0.01   0.01   0.00
    21   6    -0.03  -0.08  -0.12     0.01   0.03   0.04     0.00   0.04   0.06
    22   6    -0.02   0.00   0.00     0.01  -0.00  -0.00     0.01  -0.00  -0.02
    23   6    -0.02   0.22   0.03     0.01  -0.08  -0.01     0.04  -0.03  -0.03
    24   6     0.04  -0.19   0.07    -0.02   0.07  -0.02    -0.04   0.01  -0.01
    25   6    -0.04   0.02   0.00     0.02  -0.01  -0.00    -0.04   0.10  -0.02
    26   6     0.05   0.01   0.03    -0.02  -0.00  -0.01     0.03  -0.09   0.01
    27   6     0.02   0.02  -0.04    -0.01  -0.01   0.01     0.00  -0.00  -0.02
    28   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.01   0.00
    29   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    30   9    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    31   8     0.01   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    32   9    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    33   9    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    34   9    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    35   9    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    36   1     0.08  -0.20  -0.12    -0.03   0.07   0.04    -0.04   0.01  -0.13
    37   1     0.21  -0.15   0.22    -0.08   0.05  -0.08     0.05   0.03   0.08
    38   1    -0.06   0.33   0.27     0.02  -0.12  -0.10     0.03  -0.12   0.05
    39   1    -0.16   0.32   0.03     0.06  -0.12  -0.01    -0.07  -0.10  -0.13
    40   1    -0.06  -0.08  -0.15     0.02   0.03   0.05     0.01   0.01   0.20
    41   1     0.01  -0.10  -0.14    -0.00   0.04   0.05     0.08  -0.19   0.02
    42   1     0.05  -0.06  -0.09    -0.02   0.02   0.03    -0.04  -0.20  -0.41
    43   1     0.10   0.03   0.22    -0.04  -0.01  -0.08     0.12  -0.02   0.43
    44   1     0.18   0.11  -0.05    -0.06  -0.04   0.02    -0.12   0.16  -0.02
    45   1     0.04   0.04  -0.05    -0.02  -0.02   0.02     0.34   0.24  -0.07
    46   1    -0.10  -0.03  -0.03     0.03   0.01   0.01    -0.39  -0.03   0.06
    47   1    -0.00  -0.14   0.07     0.00   0.05  -0.02     0.03  -0.06   0.06
    48   1    -0.07   0.15  -0.02     0.02  -0.05   0.01    -0.01   0.01   0.04
    49   1    -0.09   0.08  -0.00     0.03  -0.03   0.00    -0.03   0.09  -0.01
    50   1     0.02  -0.02   0.03     0.05  -0.06   0.09    -0.00  -0.02   0.03
    51   1     0.00  -0.04   0.05     0.01  -0.10   0.14     0.01  -0.01  -0.00
    52   1     0.04   0.01  -0.08     0.10   0.03  -0.22     0.01  -0.00  -0.03
    53   1    -0.03  -0.01   0.01    -0.10  -0.03   0.03    -0.03  -0.00  -0.00
    54   1     0.01   0.01   0.02     0.04   0.04   0.05     0.03   0.02   0.01
    55   1     0.06   0.04   0.02     0.18   0.10   0.05    -0.01   0.01   0.00
    56   1    -0.02   0.12  -0.10    -0.06   0.33  -0.27     0.00  -0.01  -0.00
    57   1    -0.06   0.12  -0.01    -0.16   0.32  -0.04    -0.01  -0.01   0.01
    58   1     0.08  -0.05  -0.08     0.21  -0.15  -0.22     0.00   0.00  -0.01
    59   1     0.03  -0.07   0.04     0.08  -0.20   0.12    -0.00   0.00   0.01
    60   1    -0.02  -0.03   0.05    -0.06  -0.08   0.15     0.00   0.00  -0.02
    61   1    -0.03   0.05   0.01    -0.07   0.15   0.02    -0.00   0.00  -0.00
    62   1    -0.00  -0.05  -0.02    -0.00  -0.14  -0.07     0.00  -0.00  -0.00
    63   1    -0.03   0.03   0.00    -0.09   0.08   0.00    -0.00   0.01   0.00
                     91                     92                     93
                      A                      A                      A
 Frequencies --   1022.2045              1030.3259              1030.4282
 Red. masses --      1.3729                 1.5938                 1.5916
 Frc consts  --      0.8452                 0.9969                 0.9957
 IR Inten    --      0.4102                 2.5147                12.2736
 RamAct Fr= 1--      2.0301                 4.0168                 1.2109
  Dep-P Fr= 1--      0.5322                 0.7457                 0.7490
  Dep-U Fr= 1--      0.6947                 0.8544                 0.8565
 Alpha2 Fr= 1--      0.0086                 0.0003                 0.0000
 Beta2  Fr= 1--      0.2350                 0.5720                 0.1729
 AlphaG Fr= 1--      0.0156                -0.0027                -0.0002
 Gamma2 Fr= 1--      1.1887                 2.6031                -4.8836
 Delta2 Fr= 1--      1.1197                 2.6158                -2.4973
 Raman1 Fr= 1--       8.121                 16.067                  4.844
 ROA1   Fr= 1--     149.942                333.602               -548.740
 CID1   Fr= 1--      18.465                 20.763               -113.289
 Raman2 Fr= 1--       2.820                  6.864                  2.074
 ROA2   Fr= 1--      19.570                 41.548                -97.229
 CID2   Fr= 1--       6.939                  6.053                -46.875
 Raman3 Fr= 1--       5.641                 13.727                  4.148
 ROA3   Fr= 1--     149.942                333.602               -548.740
 CID3   Fr= 1--      26.581                 24.302               -132.275
 RC180  Fr= 1--       0.389                  0.709                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.03  -0.03     0.05  -0.00   0.03     0.08  -0.00   0.05
     2   6    -0.00  -0.04   0.06    -0.01   0.01  -0.02    -0.02   0.02  -0.04
     3   6    -0.01   0.00  -0.02    -0.03  -0.00   0.02    -0.05  -0.01   0.03
     4   6     0.01   0.01   0.02     0.01   0.01  -0.01     0.01   0.02  -0.02
     5   6    -0.00   0.01  -0.00    -0.00  -0.01  -0.00    -0.00  -0.01  -0.01
     6   6     0.04  -0.01  -0.01    -0.05  -0.00  -0.02    -0.09  -0.00  -0.03
     7   6    -0.01  -0.01   0.00     0.01  -0.01   0.00     0.01  -0.01   0.01
     8   8     0.00  -0.00  -0.00     0.01  -0.01   0.00     0.02  -0.01   0.00
     9  29    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    10   8     0.00   0.00   0.00     0.00   0.01   0.00     0.01   0.02   0.00
    11   6     0.00  -0.01   0.00     0.00  -0.03  -0.01     0.00  -0.05  -0.01
    12   6     0.00  -0.00  -0.00     0.01  -0.02  -0.00     0.01  -0.02  -0.00
    13   9    -0.00   0.00  -0.00    -0.00   0.00  -0.01    -0.01   0.01  -0.01
    14   6    -0.00   0.00  -0.02     0.04   0.01   0.01     0.06   0.02   0.01
    15   6    -0.03   0.09   0.01    -0.01   0.03   0.01    -0.02   0.04   0.02
    16   6     0.04  -0.10  -0.02     0.01  -0.01  -0.00     0.02  -0.01  -0.00
    17   8    -0.00   0.00  -0.00    -0.02   0.01   0.00     0.01  -0.01  -0.00
    18   6    -0.00  -0.00   0.00    -0.01  -0.02  -0.02     0.01   0.01   0.01
    19   6     0.00  -0.00  -0.00     0.00   0.01  -0.01    -0.00  -0.01   0.00
    20   6     0.00   0.00   0.00    -0.01   0.01   0.01     0.01  -0.01  -0.00
    21   6     0.00   0.00   0.00     0.02  -0.02  -0.04    -0.01   0.01   0.02
    22   6     0.00  -0.00  -0.00     0.05   0.01   0.03    -0.03  -0.00  -0.02
    23   6     0.00  -0.00  -0.00    -0.08   0.00   0.05     0.05  -0.00  -0.03
    24   6    -0.00   0.00  -0.00     0.09   0.00  -0.03    -0.05  -0.00   0.02
    25   6    -0.00   0.01  -0.00    -0.02   0.01  -0.00     0.01  -0.01   0.00
    26   6     0.00  -0.01   0.00     0.02  -0.04   0.02    -0.01   0.03  -0.01
    27   6     0.00  -0.00  -0.00    -0.06  -0.02   0.01     0.04   0.01  -0.01
    28   6     0.00   0.00   0.00    -0.01   0.05  -0.01     0.00  -0.03   0.01
    29   6    -0.00   0.00  -0.00    -0.01   0.03  -0.00     0.01  -0.01   0.00
    30   9     0.00  -0.00  -0.00     0.01  -0.01  -0.01    -0.00   0.00   0.01
    31   8    -0.00  -0.00   0.00    -0.01  -0.02   0.00     0.00   0.01  -0.00
    32   9     0.00  -0.00   0.00     0.01  -0.00   0.01    -0.01   0.00  -0.00
    33   9    -0.00  -0.00   0.00    -0.01  -0.01   0.00     0.00   0.01  -0.00
    34   9     0.00   0.00   0.00     0.00   0.01   0.00     0.01   0.01   0.00
    35   9    -0.00   0.00   0.00    -0.01   0.00   0.00    -0.01   0.00   0.01
    36   1    -0.00   0.00  -0.01     0.09  -0.03   0.35    -0.05   0.02  -0.20
    37   1     0.00   0.00   0.01    -0.13  -0.09  -0.23     0.07   0.06   0.13
    38   1     0.00  -0.01   0.00    -0.06   0.13  -0.22     0.03  -0.08   0.13
    39   1    -0.00  -0.01  -0.01     0.18   0.08   0.23    -0.10  -0.05  -0.14
    40   1     0.00   0.00   0.01     0.13   0.08  -0.17    -0.07  -0.05   0.10
    41   1     0.01  -0.01   0.00     0.00  -0.03  -0.04    -0.00   0.02   0.03
    42   1    -0.00  -0.02  -0.03     0.01  -0.02  -0.05    -0.01   0.01   0.03
    43   1     0.01  -0.00   0.03     0.03   0.01   0.07    -0.02  -0.01  -0.04
    44   1    -0.01   0.01  -0.00    -0.01   0.11  -0.03     0.00  -0.06   0.02
    45   1     0.03   0.02  -0.01     0.15   0.12  -0.06    -0.09  -0.07   0.04
    46   1    -0.03  -0.00   0.00    -0.22  -0.03   0.03     0.13   0.02  -0.02
    47   1     0.00  -0.00   0.00     0.04   0.22  -0.06    -0.02  -0.13   0.03
    48   1    -0.00   0.00   0.00     0.13  -0.27   0.09    -0.07   0.16  -0.05
    49   1    -0.00   0.01  -0.00     0.11   0.07  -0.06    -0.06  -0.04   0.04
    50   1     0.04   0.20  -0.41    -0.01   0.01  -0.03    -0.01   0.02  -0.05
    51   1    -0.08   0.19   0.03    -0.00   0.02  -0.03    -0.00   0.03  -0.04
    52   1    -0.13   0.02   0.43    -0.02  -0.01   0.04    -0.03  -0.01   0.07
    53   1     0.39   0.03   0.06     0.13   0.02   0.02     0.21   0.03   0.03
    54   1    -0.34  -0.24  -0.07    -0.09  -0.07  -0.04    -0.15  -0.12  -0.06
    55   1     0.12  -0.16  -0.02     0.00  -0.06  -0.02     0.01  -0.11  -0.03
    56   1    -0.03   0.12   0.05     0.03  -0.08  -0.13     0.06  -0.13  -0.22
    57   1     0.07   0.10  -0.13    -0.10  -0.05   0.14    -0.18  -0.08   0.23
    58   1    -0.05  -0.03   0.08     0.07   0.06  -0.13     0.13   0.09  -0.23
    59   1     0.04  -0.01  -0.13    -0.05   0.02   0.20    -0.09   0.03   0.35
    60   1    -0.02  -0.01   0.20    -0.07  -0.05  -0.10    -0.12  -0.08  -0.17
    61   1     0.01  -0.01   0.04    -0.07   0.16   0.05    -0.13   0.28   0.09
    62   1    -0.03   0.06   0.06    -0.02  -0.13  -0.03    -0.04  -0.22  -0.06
    63   1     0.03  -0.09  -0.01    -0.06  -0.04  -0.04    -0.11  -0.07  -0.06
                     94                     95                     96
                      A                      A                      A
 Frequencies --   1085.6496              1086.2244              1110.3454
 Red. masses --      3.0674                 2.9269                 1.5604
 Frc consts  --      2.1301                 2.0347                 1.1334
 IR Inten    --    104.5155                 0.5052                 0.5985
 RamAct Fr= 1--      0.1733                 2.1704                 5.9327
  Dep-P Fr= 1--      0.7491                 0.6751                 0.4251
  Dep-U Fr= 1--      0.8566                 0.8060                 0.5966
 Alpha2 Fr= 1--      0.0000                 0.0029                 0.0401
 Beta2  Fr= 1--      0.0247                 0.2916                 0.5899
 AlphaG Fr= 1--      0.0000                 0.0026                 0.0232
 Gamma2 Fr= 1--     -0.6312                 0.3636                 7.2657
 Delta2 Fr= 1--     -0.9277                 1.1348                 3.4819
 Raman1 Fr= 1--       0.693                  8.682                 23.731
 ROA1   Fr= 1--     -90.283                 71.222                808.927
 CID1   Fr= 1--    -130.269                  8.204                 34.088
 Raman2 Fr= 1--       0.297                  3.499                  7.079
 ROA2   Fr= 1--      -7.727                 -0.352                146.522
 CID2   Fr= 1--     -26.033                 -0.101                 20.698
 Raman3 Fr= 1--       0.594                  6.998                 14.158
 ROA3   Fr= 1--     -90.283                 71.222                808.927
 CID3   Fr= 1--    -152.083                 10.178                 57.135
 RC180  Fr= 1--       0.713                  0.612                  0.193
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.00   0.03     0.02  -0.00   0.03    -0.03  -0.03  -0.01
     2   6     0.05  -0.02  -0.03     0.05  -0.02  -0.03     0.01  -0.03  -0.02
     3   6    -0.10   0.01   0.01    -0.10   0.01   0.01     0.02  -0.02  -0.01
     4   6     0.05   0.13   0.02     0.05   0.13   0.02     0.02   0.08   0.01
     5   6     0.03   0.06   0.01     0.03   0.06   0.01    -0.06   0.06   0.01
     6   6    -0.00  -0.01   0.01    -0.00  -0.01   0.01    -0.01   0.00   0.00
     7   6     0.01  -0.01  -0.01     0.01  -0.01  -0.01    -0.01   0.03  -0.01
     8   8    -0.01  -0.03  -0.01    -0.01  -0.03  -0.01    -0.01  -0.01  -0.00
     9  29    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    10   8    -0.00   0.04   0.00    -0.00   0.04   0.00    -0.02   0.01   0.00
    11   6     0.01  -0.13  -0.02     0.01  -0.13  -0.02     0.01  -0.04  -0.00
    12   6     0.06  -0.09   0.00     0.06  -0.09   0.00     0.02  -0.03   0.00
    13   9    -0.02   0.02  -0.03    -0.02   0.02  -0.03    -0.01   0.01  -0.01
    14   6    -0.07  -0.06  -0.00    -0.07  -0.06  -0.00     0.04  -0.04   0.01
    15   6    -0.01   0.01  -0.01    -0.01   0.01  -0.01     0.01  -0.03   0.03
    16   6    -0.02   0.01   0.01    -0.02   0.01   0.01     0.03  -0.01   0.01
    17   8    -0.01  -0.04   0.01     0.01   0.03  -0.01     0.01   0.01  -0.00
    18   6     0.05   0.14  -0.02    -0.04  -0.13   0.02    -0.02  -0.07   0.01
    19   6     0.03   0.06  -0.01    -0.03  -0.06   0.01     0.05  -0.05   0.01
    20   6     0.01  -0.01   0.01    -0.01   0.01  -0.01     0.01  -0.03  -0.01
    21   6     0.05  -0.02   0.03    -0.05   0.02  -0.02    -0.01   0.02  -0.01
    22   6    -0.10   0.01  -0.01     0.10  -0.01   0.01    -0.02   0.02  -0.01
    23   6     0.02  -0.00  -0.03    -0.02   0.00   0.03     0.02   0.02  -0.01
    24   6    -0.01  -0.01  -0.01     0.00   0.01   0.01     0.01  -0.00   0.00
    25   6    -0.02   0.01  -0.01     0.02  -0.01   0.01    -0.02   0.01   0.01
    26   6    -0.01   0.01   0.01     0.01  -0.01  -0.01    -0.01   0.03   0.02
    27   6    -0.07  -0.06   0.00     0.07   0.05  -0.00    -0.03   0.04   0.01
    28   6     0.01  -0.14   0.02    -0.01   0.13  -0.02    -0.01   0.03  -0.00
    29   6     0.06  -0.10  -0.00    -0.06   0.09   0.00    -0.02   0.02   0.00
    30   9    -0.02   0.02   0.03     0.02  -0.02  -0.03     0.01  -0.01  -0.01
    31   8    -0.00   0.04  -0.00     0.00  -0.03   0.00     0.01  -0.01   0.00
    32   9    -0.03   0.01  -0.02     0.02  -0.01   0.02     0.01  -0.00   0.00
    33   9     0.02   0.04  -0.01    -0.02  -0.04   0.01    -0.00  -0.01   0.00
    34   9     0.02   0.04   0.01     0.02   0.04   0.01     0.00   0.01   0.00
    35   9    -0.03   0.01   0.02    -0.03   0.01   0.02    -0.01   0.00   0.01
    36   1     0.13  -0.14   0.13    -0.13   0.14  -0.13     0.08  -0.08   0.09
    37   1    -0.04   0.07  -0.06     0.04  -0.07   0.07    -0.11   0.14  -0.16
    38   1    -0.01   0.21   0.18     0.01  -0.21  -0.18     0.00   0.10   0.12
    39   1    -0.01  -0.10  -0.11     0.01   0.10   0.11    -0.00  -0.21  -0.17
    40   1     0.11   0.01   0.03    -0.10  -0.01  -0.03    -0.17  -0.14   0.19
    41   1     0.00  -0.04  -0.05    -0.00   0.04   0.05     0.00  -0.04  -0.06
    42   1     0.02  -0.02  -0.04    -0.02   0.02   0.04     0.04  -0.01  -0.01
    43   1     0.03   0.01   0.06    -0.03  -0.01  -0.06     0.05   0.02   0.10
    44   1     0.04  -0.00  -0.01    -0.04   0.00   0.01     0.12  -0.00  -0.02
    45   1    -0.04  -0.02   0.00     0.04   0.02  -0.00    -0.13  -0.07  -0.01
    46   1     0.01  -0.01  -0.01    -0.01   0.01   0.01     0.03  -0.03  -0.05
    47   1     0.09   0.14   0.02    -0.08  -0.14  -0.02    -0.01   0.17  -0.08
    48   1     0.15  -0.35   0.17    -0.14   0.33  -0.16     0.03  -0.05  -0.03
    49   1     0.10   0.14  -0.08    -0.09  -0.14   0.07     0.06   0.00  -0.03
    50   1     0.02  -0.02   0.04     0.02  -0.02   0.04    -0.04   0.02  -0.02
    51   1     0.00  -0.04   0.05     0.00  -0.04   0.05    -0.00   0.05  -0.08
    52   1     0.03   0.01  -0.06     0.03   0.01  -0.06    -0.06  -0.03   0.12
    53   1     0.00  -0.01   0.01     0.01  -0.01   0.01    -0.04   0.04  -0.06
    54   1    -0.04  -0.02  -0.00    -0.04  -0.02  -0.00     0.16   0.09  -0.01
    55   1     0.03  -0.00   0.01     0.04  -0.00   0.01    -0.15   0.00  -0.03
    56   1    -0.01   0.20  -0.17    -0.01   0.22  -0.18    -0.01  -0.13   0.16
    57   1    -0.01  -0.10   0.10    -0.01  -0.11   0.11     0.01   0.27  -0.22
    58   1    -0.03   0.07   0.06    -0.04   0.07   0.07     0.14  -0.17  -0.20
    59   1     0.12  -0.14  -0.12     0.13  -0.15  -0.13    -0.10   0.10   0.11
    60   1     0.11   0.01  -0.03     0.11   0.01  -0.03     0.22   0.17   0.23
    61   1     0.14  -0.34  -0.16     0.14  -0.35  -0.17    -0.04   0.06  -0.04
    62   1     0.08   0.14  -0.02     0.08   0.14  -0.02     0.02  -0.21  -0.10
    63   1     0.09   0.13   0.07     0.10   0.14   0.08    -0.08  -0.00  -0.04
                     97                     98                     99
                      A                      A                      A
 Frequencies --   1110.3815              1121.8957              1122.6327
 Red. masses --      1.5376                 6.1422                 6.2567
 Frc consts  --      1.1169                 4.5549                 4.6459
 IR Inten    --     47.9716                 5.3856               371.6727
 RamAct Fr= 1--      3.3685                 3.4422                 3.9131
  Dep-P Fr= 1--      0.7410                 0.7499                 0.3532
  Dep-U Fr= 1--      0.8513                 0.8571                 0.5220
 Alpha2 Fr= 1--      0.0005                 0.0000                 0.0340
 Beta2  Fr= 1--      0.4779                 0.4917                 0.3404
 AlphaG Fr= 1--      0.0002                 0.0001                 0.3112
 Gamma2 Fr= 1--    -14.9072                 4.1988                 0.3479
 Delta2 Fr= 1--     -2.7128                -0.2319                -2.7634
 Raman1 Fr= 1--      13.474                 13.769                 15.652
 ROA1   Fr= 1--   -1517.904                395.662                -55.035
 CID1   Fr= 1--    -112.653                 28.736                 -3.516
 Raman2 Fr= 1--       5.735                  5.900                  4.085
 ROA2   Fr= 1--    -336.071                102.625                 30.456
 CID2   Fr= 1--     -58.600                 17.393                  7.456
 Raman3 Fr= 1--      11.470                 11.801                  8.170
 ROA3   Fr= 1--   -1517.904                395.662                -55.035
 CID3   Fr= 1--    -132.337                 33.529                 -6.736
 RC180  Fr= 1--       0.703                  0.714                  0.044
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.02  -0.01    -0.01   0.01  -0.04    -0.01   0.01  -0.03
     2   6     0.00  -0.02  -0.01    -0.01  -0.01   0.05    -0.01  -0.01   0.04
     3   6     0.02  -0.02  -0.01     0.02  -0.01   0.01     0.01  -0.01   0.01
     4   6     0.02   0.06   0.00     0.01   0.04  -0.00     0.01   0.05  -0.00
     5   6    -0.05   0.05   0.01    -0.02  -0.03   0.07    -0.02  -0.03   0.07
     6   6    -0.01   0.00   0.00     0.03   0.00  -0.03     0.03   0.00  -0.03
     7   6    -0.00   0.03  -0.01    -0.02  -0.03   0.02    -0.02  -0.03   0.02
     8   8    -0.01  -0.01  -0.00    -0.01  -0.00   0.00    -0.01  -0.01   0.00
     9  29    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    10   8    -0.01   0.00   0.00    -0.00  -0.00   0.01    -0.00  -0.00   0.01
    11   6     0.01  -0.03  -0.00     0.01   0.00  -0.06     0.01  -0.00  -0.06
    12   6     0.02  -0.02   0.00    -0.03  -0.08   0.40    -0.03  -0.07   0.39
    13   9    -0.01   0.01  -0.01    -0.05   0.04  -0.11    -0.05   0.04  -0.11
    14   6     0.03  -0.03   0.01     0.01   0.02  -0.05     0.01   0.02  -0.05
    15   6     0.01  -0.03   0.02     0.01   0.01  -0.02     0.01   0.01  -0.02
    16   6     0.02  -0.01   0.01    -0.01   0.01  -0.02    -0.01   0.01  -0.02
    17   8    -0.01  -0.01   0.00    -0.01  -0.00  -0.00     0.01   0.01   0.00
    18   6     0.02   0.08  -0.01     0.01   0.04   0.00    -0.01  -0.05  -0.00
    19   6    -0.06   0.06  -0.01    -0.02  -0.03  -0.06     0.02   0.03   0.07
    20   6    -0.01   0.03   0.01    -0.02  -0.03  -0.02     0.02   0.03   0.02
    21   6     0.01  -0.02   0.02    -0.01  -0.01  -0.04     0.01   0.01   0.04
    22   6     0.02  -0.02   0.01     0.02  -0.01  -0.01    -0.01   0.01   0.01
    23   6    -0.03  -0.03   0.01    -0.01   0.01   0.03     0.01  -0.01  -0.04
    24   6    -0.01   0.00  -0.00     0.03   0.00   0.03    -0.03  -0.00  -0.03
    25   6     0.03  -0.01  -0.01    -0.01   0.01   0.02     0.01  -0.01  -0.02
    26   6     0.01  -0.03  -0.03     0.01   0.01   0.02    -0.01  -0.01  -0.02
    27   6     0.04  -0.04  -0.01     0.01   0.02   0.05    -0.01  -0.02  -0.05
    28   6     0.01  -0.04   0.00     0.01   0.00   0.06    -0.01   0.00  -0.06
    29   6     0.02  -0.03  -0.01    -0.03  -0.07  -0.39     0.03   0.08   0.41
    30   9    -0.01   0.01   0.01    -0.05   0.04   0.11     0.05  -0.04  -0.11
    31   8    -0.02   0.01  -0.00    -0.00  -0.00  -0.01     0.00   0.00   0.01
    32   9    -0.01   0.00  -0.00     0.06  -0.00   0.09    -0.07   0.00  -0.09
    33   9     0.00   0.01  -0.00    -0.00   0.00   0.03     0.00  -0.00  -0.03
    34   9     0.00   0.01   0.00    -0.00   0.00  -0.03    -0.00   0.00  -0.03
    35   9    -0.01   0.00   0.00     0.07  -0.00  -0.09     0.06  -0.00  -0.09
    36   1    -0.10   0.10  -0.12    -0.12   0.15  -0.10     0.12  -0.16   0.10
    37   1     0.14  -0.17   0.20    -0.05   0.01  -0.05     0.05  -0.01   0.05
    38   1    -0.00  -0.14  -0.16     0.01  -0.12  -0.11    -0.01   0.13   0.12
    39   1     0.01   0.27   0.22     0.05  -0.11  -0.02    -0.05   0.11   0.01
    40   1     0.21   0.17  -0.23     0.14   0.03   0.17    -0.16  -0.04  -0.17
    41   1    -0.00   0.05   0.08     0.01  -0.02  -0.01    -0.01   0.02   0.01
    42   1    -0.04   0.02   0.02     0.02  -0.01  -0.01    -0.02   0.01   0.02
    43   1    -0.06  -0.03  -0.12     0.04   0.02   0.09    -0.04  -0.02  -0.09
    44   1    -0.15   0.00   0.03     0.10   0.03  -0.02    -0.10  -0.03   0.02
    45   1     0.16   0.09   0.01    -0.05  -0.02  -0.03     0.05   0.02   0.03
    46   1    -0.04   0.04   0.06    -0.01  -0.03  -0.04     0.01   0.03   0.04
    47   1     0.02  -0.21   0.10    -0.09   0.09  -0.12     0.09  -0.09   0.12
    48   1    -0.04   0.07   0.03    -0.01   0.03  -0.13     0.01  -0.03   0.14
    49   1    -0.08  -0.01   0.04     0.05  -0.22   0.04    -0.06   0.23  -0.05
    50   1    -0.03   0.01  -0.02     0.02  -0.01   0.02     0.02  -0.01   0.01
    51   1    -0.00   0.04  -0.06     0.01  -0.03   0.01     0.01  -0.02   0.01
    52   1    -0.05  -0.02   0.09     0.04   0.02  -0.09     0.04   0.02  -0.08
    53   1    -0.04   0.03  -0.05    -0.01  -0.03   0.04    -0.01  -0.03   0.03
    54   1     0.13   0.07  -0.01    -0.05  -0.02   0.03    -0.05  -0.02   0.03
    55   1    -0.12   0.00  -0.02     0.11   0.03   0.02     0.10   0.02   0.02
    56   1    -0.00  -0.11   0.13     0.02  -0.13   0.12     0.01  -0.12   0.11
    57   1     0.01   0.21  -0.18     0.05  -0.12   0.02     0.05  -0.11   0.01
    58   1     0.11  -0.14  -0.16    -0.05   0.01   0.05    -0.04   0.01   0.05
    59   1    -0.08   0.08   0.10    -0.12   0.15   0.10    -0.12   0.15   0.10
    60   1     0.17   0.13   0.18     0.14   0.03  -0.18     0.15   0.03  -0.16
    61   1    -0.03   0.06  -0.03    -0.01   0.03   0.14    -0.01   0.03   0.13
    62   1     0.01  -0.17  -0.08    -0.09   0.10   0.13    -0.08   0.09   0.12
    63   1    -0.06  -0.01  -0.03     0.06  -0.23  -0.05     0.05  -0.22  -0.04
                    100                    101                    102
                      A                      A                      A
 Frequencies --   1133.7756              1133.9760              1157.3013
 Red. masses --      2.3007                 2.3137                 2.2787
 Frc consts  --      1.7425                 1.7529                 1.7981
 IR Inten    --     55.6396                31.5157                46.3868
 RamAct Fr= 1--      2.5976                14.7326                 0.0210
  Dep-P Fr= 1--      0.7146                 0.3580                 0.7223
  Dep-U Fr= 1--      0.8335                 0.5273                 0.8388
 Alpha2 Fr= 1--      0.0016                 0.1260                 0.0000
 Beta2  Fr= 1--      0.3609                 1.2947                 0.0029
 AlphaG Fr= 1--     -0.0081                -0.6263                -0.0000
 Gamma2 Fr= 1--     13.5315                -8.8059                 0.7357
 Delta2 Fr= 1--      5.7509                -0.4090                 0.1351
 Raman1 Fr= 1--      10.390                 58.931                  0.084
 ROA1   Fr= 1--    1483.054               -858.456                 74.953
 CID1   Fr= 1--     142.735                -14.567                890.366
 Raman2 Fr= 1--       4.330                 15.536                  0.035
 ROA2   Fr= 1--     278.748               -208.071                 16.576
 CID2   Fr= 1--      64.371                -13.393                469.500
 Raman3 Fr= 1--       8.661                 31.072                  0.071
 ROA3   Fr= 1--    1483.054               -858.456                 74.953
 CID3   Fr= 1--     171.240                -27.628               1061.484
 RC180  Fr= 1--       0.667                  0.055                  0.678
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.00   0.01    -0.01   0.01  -0.02    -0.05  -0.02  -0.06
     2   6    -0.00   0.01  -0.01     0.00  -0.02   0.02     0.04   0.05   0.08
     3   6    -0.02   0.02   0.00     0.02  -0.02  -0.01    -0.05   0.04  -0.02
     4   6    -0.02  -0.06   0.01     0.02   0.08  -0.02     0.01   0.01   0.02
     5   6     0.02   0.03  -0.11    -0.03  -0.03   0.14    -0.01  -0.06  -0.08
     6   6    -0.02  -0.01   0.05     0.03   0.01  -0.06     0.03  -0.00   0.04
     7   6     0.03   0.03  -0.03    -0.04  -0.03   0.04     0.06  -0.07  -0.01
     8   8     0.01   0.01  -0.00    -0.02  -0.01   0.00     0.01  -0.01  -0.00
     9  29     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    10   8     0.01  -0.00   0.00    -0.01   0.00  -0.00    -0.00   0.01   0.00
    11   6    -0.01   0.02  -0.01     0.01  -0.03   0.01    -0.00  -0.01   0.00
    12   6    -0.01   0.00   0.09     0.01   0.00  -0.12     0.06  -0.02  -0.02
    13   9    -0.01   0.01  -0.02     0.01  -0.01   0.03    -0.01   0.00  -0.00
    14   6    -0.01  -0.02   0.07     0.01   0.02  -0.10     0.00   0.03   0.04
    15   6    -0.02  -0.01   0.02     0.02   0.01  -0.03    -0.03   0.03   0.00
    16   6     0.01  -0.02   0.02    -0.01   0.02  -0.03    -0.03   0.03   0.01
    17   8     0.02   0.01   0.00     0.01   0.01   0.00     0.01  -0.01   0.00
    18   6    -0.02  -0.08  -0.02    -0.02  -0.07  -0.01     0.01   0.01  -0.02
    19   6     0.03   0.03   0.14     0.02   0.02   0.11    -0.01  -0.06   0.09
    20   6     0.03   0.03   0.04     0.03   0.03   0.03     0.07  -0.07   0.02
    21   6    -0.00   0.02   0.02    -0.00   0.02   0.01     0.04   0.05  -0.09
    22   6    -0.02   0.02  -0.01    -0.01   0.02  -0.00    -0.05   0.04   0.02
    23   6     0.02  -0.01  -0.02     0.01  -0.00  -0.01    -0.05  -0.02   0.06
    24   6    -0.03  -0.01  -0.06    -0.02  -0.01  -0.05     0.03  -0.00  -0.04
    25   6     0.01  -0.02  -0.03     0.01  -0.02  -0.02    -0.03   0.03  -0.01
    26   6    -0.02  -0.01  -0.03    -0.02  -0.01  -0.02    -0.03   0.03  -0.00
    27   6    -0.01  -0.02  -0.09    -0.01  -0.02  -0.08     0.00   0.03  -0.05
    28   6    -0.01   0.03   0.02    -0.01   0.03   0.01    -0.00  -0.01  -0.00
    29   6    -0.01  -0.00  -0.12    -0.01  -0.00  -0.09     0.06  -0.02   0.02
    30   9    -0.01   0.01   0.03    -0.01   0.01   0.02    -0.01   0.00   0.00
    31   8     0.01  -0.00  -0.00     0.01  -0.00  -0.00    -0.00   0.01  -0.00
    32   9     0.02  -0.00   0.03     0.02  -0.00   0.02    -0.02   0.00  -0.02
    33   9    -0.01  -0.01   0.01    -0.00  -0.01   0.01    -0.01  -0.00  -0.00
    34   9    -0.01  -0.01  -0.01     0.01   0.01   0.01    -0.01  -0.00   0.00
    35   9     0.02  -0.00  -0.02    -0.02   0.00   0.03    -0.02   0.00   0.02
    36   1     0.12  -0.17   0.13     0.09  -0.13   0.10    -0.19   0.22  -0.13
    37   1     0.06  -0.05   0.03     0.05  -0.04   0.03     0.01  -0.15  -0.02
    38   1    -0.02   0.19   0.13    -0.01   0.15   0.10    -0.01  -0.09  -0.24
    39   1    -0.04   0.10   0.03    -0.03   0.09   0.03     0.13  -0.03   0.14
    40   1    -0.20  -0.07  -0.13    -0.17  -0.06  -0.10     0.11   0.02   0.22
    41   1    -0.01   0.04   0.00    -0.01   0.03  -0.00     0.03  -0.11  -0.05
    42   1    -0.03   0.01   0.01    -0.03   0.01   0.01     0.04  -0.06  -0.13
    43   1    -0.04  -0.02  -0.12    -0.03  -0.01  -0.10     0.06   0.00   0.18
    44   1    -0.14  -0.06   0.04    -0.11  -0.05   0.03     0.03  -0.09   0.02
    45   1     0.04   0.00   0.06     0.03   0.00   0.05    -0.14  -0.10   0.05
    46   1     0.05   0.05   0.05     0.04   0.04   0.04     0.12  -0.00  -0.04
    47   1     0.14  -0.16   0.20     0.11  -0.13   0.16     0.02  -0.05   0.05
    48   1    -0.01  -0.00   0.21    -0.01   0.00   0.17    -0.04   0.10   0.04
    49   1    -0.11   0.38  -0.07    -0.09   0.30  -0.06    -0.07   0.15  -0.02
    50   1    -0.03   0.01  -0.01     0.03  -0.01   0.01     0.04  -0.06   0.12
    51   1    -0.01   0.03  -0.00     0.01  -0.03  -0.00     0.03  -0.10   0.05
    52   1    -0.04  -0.02   0.10     0.04   0.02  -0.12     0.06   0.00  -0.17
    53   1     0.04   0.04  -0.04    -0.05  -0.05   0.05     0.11  -0.00   0.03
    54   1     0.04   0.00  -0.05    -0.04  -0.00   0.06    -0.13  -0.10  -0.04
    55   1    -0.11  -0.05  -0.03     0.14   0.06   0.04     0.03  -0.09  -0.02
    56   1    -0.01   0.15  -0.11     0.02  -0.19   0.13    -0.01  -0.08   0.22
    57   1    -0.03   0.08  -0.02     0.04  -0.11   0.03     0.13  -0.03  -0.13
    58   1     0.04  -0.04  -0.02    -0.06   0.05   0.03     0.01  -0.15   0.02
    59   1     0.10  -0.13  -0.11    -0.12   0.16   0.13    -0.19   0.21   0.13
    60   1    -0.16  -0.05   0.10     0.21   0.07  -0.13     0.11   0.02  -0.21
    61   1    -0.00  -0.00  -0.17     0.01   0.00   0.21    -0.04   0.09  -0.03
    62   1     0.11  -0.13  -0.16    -0.14   0.16   0.21     0.02  -0.04  -0.04
    63   1    -0.09   0.30   0.06     0.11  -0.38  -0.07    -0.07   0.15   0.02
                    103                    104                    105
                      A                      A                      A
 Frequencies --   1157.4858              1174.9639              1175.2427
 Red. masses --      2.2578                 2.4427                 2.4958
 Frc consts  --      1.7822                 1.9869                 2.0310
 IR Inten    --      3.2696                 1.5614                59.5246
 RamAct Fr= 1--      9.4665                27.1933                 0.4495
  Dep-P Fr= 1--      0.6569                 0.3642                 0.5968
  Dep-U Fr= 1--      0.7929                 0.5339                 0.7475
 Alpha2 Fr= 1--      0.0158                 0.2279                 0.0013
 Beta2  Fr= 1--      1.2511                 2.4199                 0.0560
 AlphaG Fr= 1--     -0.0528                -0.4599                -0.0026
 Gamma2 Fr= 1--      1.1085               -12.1723                -4.0175
 Delta2 Fr= 1--     -1.0756                -1.4579                -1.2086
 Raman1 Fr= 1--      37.866                108.773                  1.798
 ROA1   Fr= 1--      71.998              -1215.190               -424.351
 CID1   Fr= 1--       1.901                -11.172               -236.027
 Raman2 Fr= 1--      15.013                 29.039                  0.672
 ROA2   Fr= 1--      35.209               -280.471                -86.750
 CID2   Fr= 1--       2.345                 -9.658               -129.100
 Raman3 Fr= 1--      30.026                 58.078                  1.344
 ROA3   Fr= 1--      71.998              -1215.190               -424.351
 CID3   Fr= 1--       2.398                -20.923               -315.755
 RC180  Fr= 1--       0.586                  0.068                  0.495
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.02   0.06    -0.00   0.01   0.05    -0.00   0.01   0.04
     2   6    -0.04  -0.05  -0.09     0.02  -0.02  -0.03     0.01  -0.02  -0.03
     3   6     0.05  -0.04   0.02    -0.05   0.02   0.00    -0.04   0.02   0.00
     4   6    -0.01  -0.01  -0.02    -0.01  -0.04  -0.03    -0.01  -0.04  -0.02
     5   6     0.02   0.06   0.09     0.12  -0.08   0.05     0.10  -0.07   0.04
     6   6    -0.03   0.00  -0.04    -0.04  -0.01  -0.05    -0.04  -0.01  -0.04
     7   6    -0.07   0.07   0.01     0.10   0.06  -0.06     0.08   0.05  -0.05
     8   8    -0.01   0.01   0.00    -0.01   0.00   0.00    -0.01   0.00   0.00
     9  29     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    10   8     0.00  -0.01  -0.00     0.02   0.00   0.00     0.01   0.00   0.00
    11   6     0.00   0.02  -0.00    -0.02   0.03   0.00    -0.02   0.03   0.00
    12   6    -0.06   0.02   0.03     0.09   0.03   0.02     0.08   0.03   0.02
    13   9     0.01  -0.00   0.00    -0.01   0.00  -0.01    -0.01   0.00  -0.01
    14   6    -0.00  -0.03  -0.04    -0.06   0.04  -0.02    -0.05   0.03  -0.02
    15   6     0.03  -0.03  -0.00    -0.04  -0.01   0.02    -0.04  -0.01   0.02
    16   6     0.03  -0.04  -0.01    -0.04  -0.02   0.02    -0.03  -0.02   0.02
    17   8     0.01  -0.01   0.00     0.01  -0.00   0.00    -0.01   0.00  -0.00
    18   6     0.01   0.01  -0.02     0.00   0.03  -0.02    -0.01  -0.04   0.03
    19   6    -0.02  -0.05   0.08    -0.10   0.07   0.04     0.12  -0.08  -0.05
    20   6     0.06  -0.07   0.01    -0.08  -0.05  -0.06     0.10   0.06   0.06
    21   6     0.04   0.05  -0.08    -0.01   0.02  -0.03     0.02  -0.02   0.03
    22   6    -0.05   0.04   0.02     0.05  -0.02   0.00    -0.05   0.02  -0.00
    23   6    -0.05  -0.02   0.06     0.00  -0.01   0.04    -0.00   0.01  -0.05
    24   6     0.03  -0.00  -0.04     0.04   0.01  -0.04    -0.04  -0.01   0.05
    25   6    -0.03   0.03  -0.01     0.03   0.02   0.02    -0.04  -0.02  -0.02
    26   6    -0.02   0.03  -0.00     0.04   0.01   0.02    -0.04  -0.01  -0.02
    27   6     0.00   0.03  -0.04     0.05  -0.03  -0.02    -0.06   0.04   0.03
    28   6    -0.00  -0.02  -0.00     0.02  -0.02   0.00    -0.02   0.03  -0.00
    29   6     0.05  -0.02   0.02    -0.07  -0.03   0.02     0.09   0.03  -0.02
    30   9    -0.01   0.00   0.00     0.01  -0.00  -0.01    -0.01   0.00   0.01
    31   8    -0.00   0.01  -0.00    -0.01  -0.00   0.00     0.01   0.00  -0.00
    32   9    -0.02   0.00  -0.02     0.01   0.00   0.00    -0.01  -0.00  -0.01
    33   9    -0.00   0.00  -0.00     0.02   0.02  -0.01    -0.02  -0.02   0.01
    34   9     0.00  -0.00  -0.00    -0.02  -0.02  -0.01    -0.02  -0.02  -0.01
    35   9     0.02  -0.00  -0.02    -0.01  -0.00   0.01    -0.01  -0.00   0.01
    36   1    -0.19   0.21  -0.13     0.05  -0.03   0.19    -0.05   0.02  -0.22
    37   1     0.01  -0.15  -0.02    -0.06  -0.04  -0.13     0.07   0.05   0.15
    38   1    -0.01  -0.08  -0.23    -0.01   0.16   0.06     0.01  -0.19  -0.06
    39   1     0.13  -0.04   0.13     0.07  -0.25  -0.08    -0.09   0.29   0.09
    40   1     0.11   0.02   0.21    -0.11  -0.11   0.23     0.12   0.12  -0.27
    41   1     0.03  -0.10  -0.04     0.03   0.02   0.14    -0.03  -0.02  -0.16
    42   1     0.04  -0.06  -0.12    -0.05  -0.00  -0.00     0.05   0.00   0.01
    43   1     0.05   0.00   0.17    -0.04  -0.04   0.02     0.05   0.05  -0.02
    44   1     0.03  -0.09   0.02     0.11   0.05  -0.03    -0.13  -0.06   0.03
    45   1    -0.13  -0.10   0.04     0.02   0.02  -0.04    -0.02  -0.02   0.04
    46   1     0.11  -0.00  -0.03     0.00  -0.02  -0.03    -0.01   0.02   0.03
    47   1     0.02  -0.05   0.04     0.01  -0.22   0.10    -0.01   0.26  -0.11
    48   1    -0.04   0.09   0.03    -0.05   0.10   0.05     0.06  -0.12  -0.06
    49   1    -0.07   0.14  -0.02    -0.11   0.01   0.04     0.13  -0.01  -0.05
    50   1    -0.04   0.06  -0.13     0.05   0.00  -0.00     0.04   0.00  -0.01
    51   1    -0.03   0.11  -0.05    -0.03  -0.02   0.16    -0.03  -0.01   0.14
    52   1    -0.06  -0.00   0.18     0.05   0.05   0.02     0.04   0.04   0.02
    53   1    -0.12   0.00  -0.04    -0.00   0.02  -0.03    -0.01   0.02  -0.03
    54   1     0.14   0.10   0.05    -0.02  -0.03  -0.04    -0.02  -0.02  -0.04
    55   1    -0.03   0.09   0.02    -0.13  -0.06  -0.03    -0.11  -0.05  -0.03
    56   1     0.01   0.09  -0.24     0.01  -0.19   0.07     0.01  -0.16   0.05
    57   1    -0.13   0.04   0.14    -0.08   0.29  -0.10    -0.08   0.25  -0.08
    58   1    -0.01   0.16  -0.02     0.08   0.05  -0.15     0.06   0.04  -0.13
    59   1     0.19  -0.22  -0.13    -0.05   0.03   0.22    -0.04   0.02   0.18
    60   1    -0.12  -0.02   0.22     0.13   0.12   0.26     0.10   0.10   0.23
    61   1     0.04  -0.10   0.03     0.06  -0.12   0.06     0.05  -0.10   0.05
    62   1    -0.02   0.05   0.05    -0.01   0.26   0.11    -0.01   0.22   0.10
    63   1     0.08  -0.15  -0.02     0.13  -0.01   0.05     0.11  -0.01   0.04
                    106                    107                    108
                      A                      A                      A
 Frequencies --   1181.0040              1181.2365              1204.7122
 Red. masses --      4.1678                 4.4815                 2.3164
 Frc consts  --      3.4250                 3.6842                 1.9808
 IR Inten    --     72.4988                 0.9736               253.2293
 RamAct Fr= 1--      0.1090                15.2305                 1.3124
  Dep-P Fr= 1--      0.6343                 0.3184                 0.7500
  Dep-U Fr= 1--      0.7762                 0.4831                 0.8571
 Alpha2 Fr= 1--      0.0002                 0.1477                 0.0000
 Beta2  Fr= 1--      0.0141                 1.2262                 0.1875
 AlphaG Fr= 1--      0.0000                 0.0352                -0.0000
 Gamma2 Fr= 1--      2.2646                -1.8739                 5.4778
 Delta2 Fr= 1--      0.7015                 0.8281                 3.1599
 Raman1 Fr= 1--       0.436                 60.922                  5.250
 ROA1   Fr= 1--     239.854               -153.390                626.984
 CID1   Fr= 1--     550.008                 -2.518                119.435
 Raman2 Fr= 1--       0.169                 14.714                  2.250
 ROA2   Fr= 1--      48.739                -51.597                106.187
 CID2   Fr= 1--     287.957                 -3.507                 47.199
 Raman3 Fr= 1--       0.339                 29.429                  4.500
 ROA3   Fr= 1--     239.854               -153.390                626.984
 CID3   Fr= 1--     708.546                 -5.212                139.344
 RC180  Fr= 1--       0.552                 -0.034                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01   0.02    -0.00  -0.01   0.02     0.01   0.01   0.01
     2   6     0.03  -0.03  -0.04     0.03  -0.03  -0.05    -0.01  -0.01  -0.03
     3   6    -0.08   0.03   0.01    -0.08   0.03   0.01    -0.08  -0.02  -0.01
     4   6    -0.01  -0.05   0.00    -0.02  -0.06   0.00     0.00   0.03   0.01
     5   6    -0.07  -0.03   0.01    -0.08  -0.03   0.00     0.04  -0.04  -0.03
     6   6     0.03   0.03  -0.00     0.04   0.03  -0.00     0.00  -0.01  -0.01
     7   6    -0.11  -0.02   0.02    -0.12  -0.02   0.03    -0.08  -0.08  -0.03
     8   8     0.04  -0.00   0.00     0.04  -0.00  -0.00     0.01  -0.01  -0.00
     9  29     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    10   8     0.01   0.01   0.00     0.01   0.01  -0.00     0.06   0.00  -0.00
    11   6    -0.03   0.05   0.01    -0.03   0.06   0.01    -0.01   0.00   0.00
    12   6     0.25   0.05   0.03     0.30   0.05   0.03    -0.11   0.07   0.00
    13   9    -0.03   0.01  -0.03    -0.04   0.01  -0.03     0.02  -0.01   0.02
    14   6     0.05   0.02  -0.01     0.05   0.02  -0.01    -0.02   0.02   0.01
    15   6     0.04  -0.00   0.00     0.04  -0.01   0.00     0.02   0.03   0.03
    16   6     0.05   0.02  -0.01     0.05   0.02  -0.01     0.04   0.04   0.02
    17   8     0.04  -0.00  -0.00    -0.04   0.00  -0.00     0.01  -0.01   0.00
    18   6    -0.01  -0.06  -0.00     0.01   0.06   0.00     0.00   0.03  -0.01
    19   6    -0.08  -0.03  -0.01     0.07   0.03   0.00     0.04  -0.04   0.03
    20   6    -0.12  -0.02  -0.03     0.11   0.02   0.02    -0.08  -0.08   0.03
    21   6     0.03  -0.03   0.05    -0.03   0.03  -0.04    -0.01  -0.01   0.03
    22   6    -0.08   0.03  -0.01     0.07  -0.03   0.01    -0.08  -0.02   0.01
    23   6    -0.00  -0.01  -0.02     0.00   0.01   0.02     0.01   0.01  -0.01
    24   6     0.04   0.03   0.00    -0.03  -0.03  -0.00     0.00  -0.01   0.01
    25   6     0.05   0.02   0.01    -0.05  -0.02  -0.01     0.04   0.04  -0.02
    26   6     0.05  -0.01  -0.00    -0.04   0.00   0.00     0.02   0.03  -0.03
    27   6     0.05   0.02   0.01    -0.04  -0.02  -0.01    -0.02   0.02  -0.01
    28   6    -0.03   0.05  -0.01     0.03  -0.05   0.01    -0.01   0.00  -0.00
    29   6     0.27   0.05  -0.03    -0.27  -0.05   0.03    -0.11   0.07  -0.00
    30   9    -0.04   0.01   0.03     0.04  -0.01  -0.03     0.02  -0.01  -0.02
    31   8     0.01   0.01  -0.00    -0.01  -0.01  -0.00     0.06   0.00   0.00
    32   9    -0.05   0.00  -0.03     0.05  -0.00   0.03     0.03  -0.01   0.02
    33   9    -0.06  -0.06   0.02     0.06   0.05  -0.02     0.01  -0.01   0.00
    34   9    -0.06  -0.05  -0.02    -0.07  -0.06  -0.02     0.01  -0.01  -0.00
    35   9    -0.04   0.00   0.03    -0.05   0.00   0.03     0.03  -0.01  -0.02
    36   1     0.10  -0.05   0.22    -0.10   0.05  -0.21    -0.03   0.02  -0.06
    37   1    -0.08   0.02  -0.12     0.08  -0.02   0.11    -0.05   0.06  -0.07
    38   1    -0.03   0.20   0.12     0.03  -0.18  -0.11     0.00  -0.03   0.01
    39   1     0.03  -0.14  -0.09    -0.03   0.12   0.08    -0.02  -0.04  -0.06
    40   1     0.20   0.10  -0.08    -0.17  -0.08   0.07     0.40   0.31  -0.20
    41   1     0.03   0.05   0.20    -0.02  -0.05  -0.18     0.05  -0.01   0.20
    42   1    -0.10  -0.01  -0.03     0.10   0.01   0.03    -0.11  -0.04  -0.11
    43   1    -0.08  -0.07  -0.05     0.07   0.06   0.04    -0.09  -0.09   0.01
    44   1     0.03   0.06  -0.02    -0.03  -0.05   0.02    -0.01  -0.06   0.02
    45   1     0.12   0.07  -0.02    -0.11  -0.06   0.02     0.04  -0.00   0.06
    46   1     0.01   0.02   0.02    -0.01  -0.02  -0.02     0.16   0.06   0.01
    47   1    -0.06  -0.10  -0.03     0.06   0.09   0.02     0.01   0.06  -0.01
    48   1    -0.07   0.17  -0.09     0.06  -0.16   0.08     0.00  -0.01   0.01
    49   1    -0.07  -0.11   0.06     0.06   0.09  -0.05     0.01   0.08  -0.03
    50   1    -0.10  -0.01   0.03    -0.10  -0.01   0.03    -0.11  -0.04   0.11
    51   1     0.02   0.05  -0.19     0.03   0.05  -0.20     0.05  -0.01  -0.19
    52   1    -0.08  -0.06   0.04    -0.08  -0.07   0.05    -0.08  -0.09  -0.01
    53   1     0.01   0.02  -0.02     0.01   0.02  -0.02     0.15   0.06  -0.01
    54   1     0.11   0.07   0.02     0.12   0.07   0.02     0.04  -0.00  -0.06
    55   1     0.03   0.05   0.02     0.03   0.06   0.02    -0.01  -0.06  -0.02
    56   1    -0.03   0.19  -0.11    -0.03   0.20  -0.12     0.00  -0.03  -0.01
    57   1     0.03  -0.13   0.08     0.03  -0.14   0.09    -0.02  -0.04   0.06
    58   1    -0.08   0.01   0.11    -0.09   0.02   0.12    -0.05   0.05   0.07
    59   1     0.09  -0.05  -0.21     0.10  -0.06  -0.22    -0.03   0.02   0.06
    60   1     0.18   0.09   0.07     0.18   0.09   0.08     0.39   0.30   0.20
    61   1    -0.06   0.16   0.08    -0.07   0.17   0.08     0.00  -0.01  -0.01
    62   1    -0.06  -0.10   0.02    -0.06  -0.10   0.02     0.01   0.06   0.01
    63   1    -0.06  -0.10  -0.06    -0.07  -0.10  -0.06     0.01   0.07   0.03
                    109                    110                    111
                      A                      A                      A
 Frequencies --   1206.8119              1212.9739              1213.3315
 Red. masses --      2.1732                 2.1629                 2.0964
 Frc consts  --      1.8647                 1.8749                 1.8183
 IR Inten    --      0.2318                 6.0442               159.3474
 RamAct Fr= 1--      4.6719                 7.9790                 1.5019
  Dep-P Fr= 1--      0.7133                 0.3415                 0.7186
  Dep-U Fr= 1--      0.8327                 0.5091                 0.8363
 Alpha2 Fr= 1--      0.0030                 0.0720                 0.0008
 Beta2  Fr= 1--      0.6483                 0.6771                 0.2093
 AlphaG Fr= 1--     -0.0032                 0.1417                 0.0015
 Gamma2 Fr= 1--      1.5171                 5.0587                -7.5394
 Delta2 Fr= 1--      1.3715                 4.6908                -4.9182
 Raman1 Fr= 1--      18.687                 31.916                  6.008
 ROA1   Fr= 1--     189.529                635.742               -881.163
 CID1   Fr= 1--      10.142                 19.919               -146.672
 Raman2 Fr= 1--       7.780                  8.125                  2.512
 ROA2   Fr= 1--      25.439                 83.882               -141.600
 CID2   Fr= 1--       3.270                 10.324                -56.368
 Raman3 Fr= 1--      15.560                 16.249                  5.024
 ROA3   Fr= 1--     189.529                635.742               -881.163
 CID3   Fr= 1--      12.180                 39.124               -175.387
 RC180  Fr= 1--       0.665                  0.018                  0.673
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02   0.01    -0.04  -0.02   0.02    -0.05  -0.03   0.03
     2   6    -0.02  -0.01  -0.03     0.05   0.02  -0.05     0.06   0.02  -0.05
     3   6    -0.06  -0.02  -0.01    -0.06   0.03   0.01    -0.06   0.04   0.02
     4   6     0.01   0.03   0.02     0.00  -0.02  -0.01    -0.00  -0.03  -0.02
     5   6     0.05  -0.04  -0.05    -0.05  -0.03   0.05    -0.07  -0.03   0.07
     6   6    -0.01  -0.02  -0.01     0.03   0.04   0.00     0.04   0.05   0.01
     7   6    -0.09  -0.08  -0.02     0.03  -0.04  -0.06     0.06  -0.03  -0.07
     8   8     0.00  -0.01  -0.00     0.03  -0.00   0.00     0.03  -0.00   0.00
     9  29    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    10   8     0.05  -0.00  -0.00     0.02   0.00  -0.00     0.02   0.00   0.00
    11   6    -0.00   0.01   0.00    -0.01  -0.00  -0.00    -0.01  -0.01  -0.00
    12   6    -0.09   0.07   0.00    -0.07  -0.03  -0.00    -0.07  -0.04  -0.00
    13   9     0.02  -0.01   0.02     0.01  -0.00   0.01     0.01   0.00   0.00
    14   6    -0.03   0.01   0.02     0.03   0.02  -0.03     0.03   0.02  -0.04
    15   6     0.02   0.03   0.03    -0.01   0.01   0.03    -0.02   0.00   0.03
    16   6     0.05   0.03   0.01    -0.01   0.03   0.02    -0.02   0.03   0.02
    17   8    -0.00   0.01  -0.00    -0.03   0.01   0.00     0.03  -0.00  -0.00
    18   6    -0.01  -0.03   0.02     0.00   0.03  -0.01    -0.00  -0.02   0.01
    19   6    -0.05   0.04  -0.05     0.07   0.04   0.07    -0.06  -0.02  -0.06
    20   6     0.09   0.08  -0.02    -0.04   0.04  -0.07     0.05  -0.02   0.06
    21   6     0.02   0.01  -0.03    -0.06  -0.02  -0.06     0.05   0.02   0.04
    22   6     0.06   0.02  -0.01     0.07  -0.04   0.02    -0.05   0.03  -0.01
    23   6    -0.01  -0.02   0.01     0.05   0.03   0.03    -0.04  -0.02  -0.02
    24   6     0.01   0.02  -0.01    -0.04  -0.05   0.01     0.03   0.04  -0.01
    25   6    -0.05  -0.03   0.01     0.01  -0.04   0.03    -0.02   0.02  -0.02
    26   6    -0.02  -0.03   0.03     0.01  -0.01   0.03    -0.01   0.00  -0.02
    27   6     0.02  -0.01   0.02    -0.03  -0.02  -0.04     0.03   0.01   0.03
    28   6     0.00  -0.01   0.00     0.01   0.01  -0.00    -0.01  -0.01   0.00
    29   6     0.09  -0.06   0.00     0.08   0.04  -0.00    -0.06  -0.03   0.00
    30   9    -0.02   0.01   0.02    -0.01   0.00   0.01     0.01   0.00  -0.00
    31   8    -0.04   0.00  -0.00    -0.03  -0.00   0.00     0.01   0.00  -0.00
    32   9    -0.02   0.01  -0.02    -0.02  -0.00  -0.01     0.01   0.00   0.01
    33   9    -0.00   0.01  -0.00    -0.02  -0.02   0.01     0.02   0.02  -0.00
    34   9     0.00  -0.01  -0.00     0.02   0.02   0.00     0.02   0.02   0.00
    35   9     0.02  -0.01  -0.02     0.01   0.00  -0.01     0.01   0.00  -0.01
    36   1     0.03  -0.01   0.08    -0.05  -0.03  -0.16     0.04   0.02   0.14
    37   1     0.07  -0.09   0.09    -0.09   0.21  -0.11     0.09  -0.18   0.11
    38   1    -0.02   0.08  -0.00     0.08  -0.32  -0.07    -0.07   0.27   0.06
    39   1     0.03   0.03   0.06    -0.07   0.06  -0.01     0.06  -0.04   0.02
    40   1    -0.39  -0.30   0.16     0.17   0.01   0.38    -0.20  -0.06  -0.26
    41   1    -0.04  -0.00  -0.20    -0.03   0.08  -0.01     0.02  -0.07  -0.03
    42   1     0.11   0.03   0.09     0.02   0.07   0.16     0.01  -0.05  -0.11
    43   1     0.09   0.09   0.00     0.01   0.03  -0.08     0.01  -0.00   0.06
    44   1    -0.01   0.05  -0.01     0.08   0.08  -0.03    -0.07  -0.06   0.02
    45   1    -0.04  -0.00  -0.05    -0.01   0.03  -0.07    -0.00  -0.03   0.05
    46   1    -0.15  -0.05  -0.01    -0.09  -0.05  -0.02     0.05   0.03   0.02
    47   1    -0.03  -0.06  -0.01     0.09   0.02   0.08    -0.07  -0.02  -0.06
    48   1    -0.01   0.02  -0.03     0.03  -0.10   0.13    -0.03   0.08  -0.10
    49   1    -0.01  -0.11   0.04     0.00   0.18  -0.06    -0.00  -0.15   0.05
    50   1    -0.11  -0.03   0.10    -0.02  -0.05   0.13     0.00  -0.06   0.14
    51   1     0.05   0.00  -0.21     0.03  -0.06  -0.02     0.02  -0.08   0.03
    52   1    -0.09  -0.09   0.00    -0.01  -0.03  -0.06     0.01  -0.01  -0.08
    53   1     0.15   0.05  -0.01     0.08   0.04  -0.02     0.06   0.04  -0.02
    54   1     0.04   0.00  -0.05     0.01  -0.02  -0.06    -0.00  -0.03  -0.06
    55   1     0.01  -0.05  -0.01    -0.07  -0.07  -0.03    -0.08  -0.08  -0.03
    56   1     0.02  -0.07  -0.00    -0.06   0.26  -0.06    -0.08   0.33  -0.07
    57   1    -0.03  -0.03   0.07     0.06  -0.05  -0.00     0.08  -0.05  -0.02
    58   1    -0.07   0.09   0.09     0.07  -0.16  -0.09     0.10  -0.22  -0.13
    59   1    -0.03   0.01   0.08     0.04   0.02  -0.13     0.05   0.03  -0.17
    60   1     0.39   0.31   0.17    -0.13   0.00   0.32    -0.23  -0.06   0.33
    61   1     0.01  -0.02  -0.03    -0.03   0.08   0.10    -0.03   0.09   0.13
    62   1     0.03   0.06  -0.01    -0.07  -0.01   0.06    -0.09  -0.02   0.08
    63   1     0.01   0.11   0.04    -0.00  -0.14  -0.05    -0.00  -0.19  -0.06
                    112                    113                    114
                      A                      A                      A
 Frequencies --   1228.5308              1229.0682              1249.4221
 Red. masses --      2.3366                 2.3777                 2.8281
 Frc consts  --      2.0778                 2.1162                 2.6012
 IR Inten    --    133.1237                 3.5045               170.2513
 RamAct Fr= 1--      5.4501                13.7973                 0.5581
  Dep-P Fr= 1--      0.7499                 0.5564                 0.7500
  Dep-U Fr= 1--      0.8571                 0.7150                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0508                 0.0000
 Beta2  Fr= 1--      0.7785                 1.6442                 0.0797
 AlphaG Fr= 1--     -0.0000                -0.1221                 0.0000
 Gamma2 Fr= 1--     -5.3500                -0.5802                -0.3767
 Delta2 Fr= 1--      3.5118                 3.2046                 0.9604
 Raman1 Fr= 1--      21.800                 55.189                  2.232
 ROA1   Fr= 1--    -401.222                 46.846                 -5.433
 CID1   Fr= 1--     -18.404                  0.849                 -2.434
 Raman2 Fr= 1--       9.342                 19.731                  0.957
 ROA2   Fr= 1--    -156.494                -39.562                -16.724
 CID2   Fr= 1--     -16.751                 -2.005                -17.480
 Raman3 Fr= 1--      18.684                 39.461                  1.914
 ROA3   Fr= 1--    -401.222                 46.846                 -5.433
 CID3   Fr= 1--     -21.474                  1.187                 -2.839
 RC180  Fr= 1--       0.714                  0.430                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.01   0.00    -0.02  -0.01   0.00     0.02  -0.03  -0.03
     2   6     0.05  -0.05   0.03     0.05  -0.05   0.02     0.02   0.01   0.03
     3   6    -0.11   0.03  -0.00    -0.12   0.04   0.00    -0.10  -0.04  -0.01
     4   6     0.00  -0.01  -0.01     0.01  -0.01  -0.00    -0.01  -0.02  -0.01
     5   6    -0.01  -0.03  -0.01    -0.01  -0.05  -0.02    -0.02   0.09   0.04
     6   6     0.04  -0.01  -0.01     0.05  -0.01  -0.02    -0.05   0.03   0.03
     7   6    -0.01   0.14   0.00    -0.03   0.14   0.00     0.06  -0.02   0.09
     8   8     0.02  -0.01   0.00     0.02  -0.01   0.00     0.02  -0.00   0.00
     9  29    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    10   8     0.05   0.01   0.00     0.05   0.01   0.00     0.05   0.01   0.00
    11   6    -0.02  -0.01  -0.00    -0.02  -0.01   0.00    -0.02  -0.03  -0.00
    12   6    -0.06   0.00  -0.01    -0.06  -0.01  -0.01    -0.02   0.15   0.02
    13   9     0.01  -0.00   0.01     0.01  -0.00   0.01     0.01  -0.02   0.01
    14   6     0.01   0.01   0.01     0.01   0.01   0.01     0.01  -0.03  -0.02
    15   6     0.01  -0.06  -0.01     0.01  -0.06  -0.00    -0.02   0.01  -0.04
    16   6     0.01  -0.06  -0.01     0.01  -0.06  -0.00    -0.03   0.00  -0.03
    17   8     0.02  -0.01  -0.00    -0.02   0.01   0.00     0.02  -0.00  -0.00
    18   6     0.00  -0.01   0.01    -0.01   0.01  -0.00    -0.01  -0.02   0.01
    19   6    -0.01  -0.04   0.01     0.01   0.05  -0.02    -0.02   0.09  -0.04
    20   6    -0.01   0.15  -0.00     0.03  -0.14   0.00     0.06  -0.02  -0.09
    21   6     0.05  -0.05  -0.03    -0.05   0.05   0.02     0.02   0.01  -0.03
    22   6    -0.12   0.04   0.00     0.11  -0.04   0.00    -0.10  -0.04   0.01
    23   6    -0.02  -0.01  -0.00     0.02   0.01   0.00     0.02  -0.03   0.03
    24   6     0.04  -0.01   0.01    -0.05   0.01  -0.02    -0.05   0.03  -0.03
    25   6     0.01  -0.06   0.01    -0.01   0.05  -0.00    -0.03   0.00   0.03
    26   6     0.01  -0.06   0.01    -0.01   0.06  -0.00    -0.02   0.01   0.04
    27   6     0.01   0.01  -0.01    -0.01  -0.01   0.01     0.01  -0.03   0.02
    28   6    -0.02  -0.01   0.00     0.02   0.00   0.00    -0.02  -0.03   0.00
    29   6    -0.06   0.00   0.01     0.06   0.01  -0.01    -0.02   0.15  -0.02
    30   9     0.01  -0.00  -0.01    -0.01   0.00   0.01     0.01  -0.02  -0.01
    31   8     0.05   0.01  -0.00    -0.05  -0.00   0.00     0.05   0.01  -0.00
    32   9     0.01  -0.00   0.01    -0.01   0.00  -0.01     0.01  -0.01   0.01
    33   9     0.01   0.01  -0.00    -0.01  -0.01   0.00    -0.02  -0.04   0.01
    34   9     0.01   0.01   0.00     0.01   0.01   0.00    -0.02  -0.04  -0.01
    35   9     0.01  -0.00  -0.01     0.01  -0.00  -0.01     0.01  -0.01  -0.01
    36   1    -0.17   0.21  -0.16     0.17  -0.21   0.17     0.14  -0.16   0.18
    37   1    -0.04  -0.02  -0.07     0.05   0.01   0.09     0.20  -0.13   0.27
    38   1    -0.04   0.17   0.06     0.04  -0.16  -0.06     0.03  -0.02   0.03
    39   1     0.07  -0.14  -0.04    -0.06   0.14   0.05     0.01   0.15   0.14
    40   1     0.13  -0.09   0.31    -0.13   0.07  -0.26     0.17   0.05   0.16
    41   1    -0.06   0.11  -0.08     0.05  -0.11   0.06    -0.01  -0.04  -0.09
    42   1     0.01   0.07   0.17     0.01  -0.07  -0.16     0.11   0.01   0.05
    43   1     0.00   0.04  -0.17     0.01  -0.03   0.17     0.08   0.06   0.09
    44   1    -0.08   0.11  -0.02     0.08  -0.11   0.02     0.12   0.02  -0.02
    45   1     0.12   0.09  -0.06    -0.13  -0.09   0.06    -0.12  -0.04  -0.07
    46   1    -0.19  -0.01   0.06     0.17   0.00  -0.06    -0.06  -0.09  -0.08
    47   1    -0.01  -0.02  -0.00     0.00   0.02   0.00     0.00  -0.06   0.03
    48   1    -0.02   0.05  -0.02     0.02  -0.06   0.02     0.02  -0.04   0.02
    49   1    -0.02   0.02   0.00     0.02  -0.03   0.00     0.01  -0.09   0.03
    50   1     0.01   0.07  -0.16    -0.01   0.07  -0.16     0.11   0.01  -0.05
    51   1    -0.06   0.11   0.08    -0.06   0.12   0.06    -0.01  -0.04   0.09
    52   1     0.00   0.04   0.16    -0.01   0.03   0.18     0.08   0.06  -0.09
    53   1    -0.18  -0.01  -0.05    -0.18  -0.00  -0.06    -0.06  -0.09   0.08
    54   1     0.11   0.08   0.06     0.13   0.09   0.06    -0.12  -0.04   0.07
    55   1    -0.08   0.11   0.02    -0.08   0.11   0.02     0.12   0.02   0.02
    56   1    -0.04   0.16  -0.06    -0.04   0.17  -0.06     0.03  -0.02  -0.03
    57   1     0.07  -0.13   0.04     0.07  -0.14   0.05     0.01   0.15  -0.14
    58   1    -0.04  -0.02   0.07    -0.06  -0.01   0.09     0.20  -0.13  -0.27
    59   1    -0.16   0.20   0.15    -0.18   0.22   0.17     0.14  -0.16  -0.18
    60   1     0.12  -0.09  -0.30     0.14  -0.07  -0.27     0.17   0.05  -0.16
    61   1    -0.02   0.05   0.02    -0.02   0.06   0.02     0.02  -0.04  -0.02
    62   1    -0.01  -0.02   0.00    -0.01  -0.02   0.00     0.00  -0.06  -0.03
    63   1    -0.02   0.02  -0.00    -0.02   0.03   0.00     0.01  -0.09  -0.03
                    115                    116                    117
                      A                      A                      A
 Frequencies --   1251.7358              1254.6144              1255.7906
 Red. masses --      2.8963                 2.6298                 2.8765
 Frc consts  --      2.6738                 2.4389                 2.6727
 IR Inten    --      7.5866                 2.6450               207.5639
 RamAct Fr= 1--      1.0852                17.9973                 4.3782
  Dep-P Fr= 1--      0.6081                 0.6680                 0.7499
  Dep-U Fr= 1--      0.7563                 0.8010                 0.8571
 Alpha2 Fr= 1--      0.0028                 0.0262                 0.0000
 Beta2  Fr= 1--      0.1368                 2.4026                 0.6254
 AlphaG Fr= 1--      0.0299                -0.0238                -0.0000
 Gamma2 Fr= 1--      0.9460               -11.5096                22.7007
 Delta2 Fr= 1--      0.5907                -6.8155                 4.6191
 Raman1 Fr= 1--       4.341                 71.989                 17.513
 ROA1   Fr= 1--     109.721              -1323.015               2327.082
 CID1   Fr= 1--      25.276                -18.378                132.879
 Raman2 Fr= 1--       1.641                 28.831                  7.505
 ROA2   Fr= 1--      17.979               -221.706                507.865
 CID2   Fr= 1--      10.953                 -7.690                 67.671
 Raman3 Fr= 1--       3.283                 57.662                 15.010
 ROA3   Fr= 1--     109.721              -1323.015               2327.082
 CID3   Fr= 1--      33.422                -22.944                155.038
 RC180  Fr= 1--       0.513                  0.602                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.04  -0.02     0.00  -0.03   0.03    -0.01  -0.05   0.03
     2   6     0.02   0.01   0.02     0.07   0.02  -0.03     0.08   0.03  -0.04
     3   6    -0.11  -0.03  -0.01    -0.03   0.07   0.01    -0.04   0.07   0.01
     4   6    -0.01  -0.02  -0.01     0.00  -0.03   0.00    -0.00  -0.03   0.00
     5   6    -0.01   0.08   0.03     0.01  -0.06  -0.04     0.03  -0.07  -0.04
     6   6    -0.05   0.04   0.03    -0.04   0.01  -0.03    -0.04   0.02  -0.03
     7   6     0.04  -0.01   0.11    -0.06  -0.02   0.13    -0.07  -0.02   0.16
     8   8     0.02  -0.00   0.00     0.01  -0.00  -0.00     0.02  -0.00  -0.00
     9  29     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    10   8     0.06   0.01   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    11   6    -0.02  -0.03  -0.00    -0.01   0.02   0.00    -0.01   0.02   0.00
    12   6    -0.03   0.15   0.03    -0.03  -0.13  -0.01    -0.04  -0.12  -0.01
    13   9     0.01  -0.02   0.01    -0.00   0.01  -0.01    -0.00   0.01  -0.01
    14   6     0.01  -0.02  -0.01     0.00   0.02   0.01    -0.00   0.02   0.01
    15   6    -0.01   0.01  -0.05     0.02   0.00  -0.05     0.02  -0.00  -0.06
    16   6    -0.03  -0.00  -0.03     0.01   0.01  -0.03     0.01   0.01  -0.04
    17   8    -0.02   0.00   0.00    -0.01   0.00  -0.00     0.02  -0.00   0.00
    18   6     0.01   0.02  -0.01    -0.00   0.03   0.00    -0.00  -0.03  -0.00
    19   6     0.01  -0.08   0.03    -0.01   0.07  -0.04     0.03  -0.07   0.04
    20   6    -0.04   0.01   0.11     0.07   0.02   0.13    -0.07  -0.02  -0.16
    21   6    -0.02  -0.01   0.02    -0.07  -0.02  -0.03     0.07   0.02   0.04
    22   6     0.11   0.03  -0.01     0.03  -0.07   0.01    -0.04   0.07  -0.01
    23   6    -0.02   0.04  -0.02    -0.00   0.03   0.03    -0.01  -0.05  -0.03
    24   6     0.05  -0.04   0.03     0.04  -0.01  -0.03    -0.03   0.02   0.02
    25   6     0.03   0.00  -0.03    -0.01  -0.01  -0.03     0.01   0.01   0.04
    26   6     0.01  -0.01  -0.05    -0.02  -0.00  -0.05     0.02  -0.00   0.06
    27   6    -0.01   0.02  -0.01    -0.00  -0.02   0.01    -0.00   0.02  -0.01
    28   6     0.02   0.03  -0.00     0.01  -0.03   0.00    -0.01   0.02  -0.00
    29   6     0.03  -0.15   0.03     0.03   0.13  -0.02    -0.04  -0.11   0.01
    30   9    -0.01   0.02   0.01     0.00  -0.01  -0.01    -0.00   0.01   0.01
    31   8    -0.06  -0.01   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    32   9    -0.02   0.01  -0.02     0.00  -0.01   0.00     0.00   0.01  -0.00
    33   9     0.02   0.04  -0.01    -0.03  -0.04   0.01     0.02   0.03  -0.01
    34   9    -0.02  -0.04  -0.01     0.03   0.04   0.01     0.03   0.04   0.01
    35   9     0.02  -0.01  -0.02    -0.00   0.01   0.00     0.00   0.01   0.00
    36   1    -0.11   0.12  -0.14    -0.10   0.13  -0.06     0.06  -0.07   0.02
    37   1    -0.22   0.16  -0.30     0.04  -0.11   0.00    -0.00   0.05   0.05
    38   1    -0.01  -0.05  -0.06    -0.02   0.17   0.09    -0.00  -0.08  -0.06
    39   1    -0.03  -0.14  -0.15     0.06  -0.43  -0.24    -0.04   0.41   0.25
    40   1    -0.17  -0.05  -0.13     0.03   0.00   0.12    -0.05  -0.01  -0.15
    41   1     0.01   0.03   0.07    -0.01  -0.02  -0.07     0.01   0.02   0.07
    42   1    -0.10  -0.02  -0.06    -0.02  -0.03  -0.07     0.03   0.04   0.08
    43   1    -0.08  -0.06  -0.08    -0.03  -0.01  -0.06     0.04   0.02   0.07
    44   1    -0.14  -0.04   0.03    -0.17  -0.10   0.05     0.19   0.11  -0.06
    45   1     0.12   0.03   0.08     0.04  -0.03   0.11    -0.05   0.03  -0.12
    46   1     0.07   0.09   0.08     0.07   0.08   0.06    -0.09  -0.09  -0.07
    47   1    -0.01   0.05  -0.03     0.01  -0.03   0.03    -0.00   0.04  -0.03
    48   1    -0.01   0.03  -0.02     0.03  -0.06   0.02    -0.03   0.06  -0.02
    49   1    -0.01   0.07  -0.02     0.03  -0.06   0.01    -0.02   0.07  -0.01
    50   1     0.10   0.02  -0.06     0.02   0.03  -0.06     0.03   0.04  -0.09
    51   1    -0.01  -0.03   0.07     0.01   0.02  -0.07     0.01   0.03  -0.08
    52   1     0.08   0.06  -0.08     0.03   0.01  -0.06     0.04   0.02  -0.07
    53   1    -0.07  -0.09   0.08    -0.07  -0.08   0.06    -0.09  -0.10   0.07
    54   1    -0.12  -0.03   0.08    -0.03   0.03   0.10    -0.05   0.03   0.13
    55   1     0.13   0.04   0.03     0.16   0.10   0.05     0.20   0.12   0.06
    56   1     0.01   0.05  -0.06     0.02  -0.16   0.09    -0.00  -0.08   0.06
    57   1     0.03   0.13  -0.15    -0.06   0.42  -0.24    -0.05   0.42  -0.26
    58   1     0.22  -0.16  -0.30    -0.04   0.11   0.00    -0.00   0.06  -0.05
    59   1     0.11  -0.12  -0.14     0.10  -0.12  -0.06     0.07  -0.08  -0.02
    60   1     0.17   0.05  -0.13    -0.03  -0.00   0.12    -0.05  -0.01   0.15
    61   1     0.01  -0.03  -0.02    -0.03   0.06   0.02    -0.03   0.06   0.02
    62   1     0.01  -0.05  -0.03    -0.01   0.03   0.03    -0.00   0.04   0.03
    63   1     0.01  -0.07  -0.02    -0.03   0.05   0.01    -0.02   0.07   0.01
                    118                    119                    120
                      A                      A                      A
 Frequencies --   1260.7252              1261.0237              1295.6518
 Red. masses --      1.5058                 1.5988                 2.0889
 Frc consts  --      1.4101                 1.4980                 2.0661
 IR Inten    --    110.5617                 4.5775                10.0805
 RamAct Fr= 1--      5.2265                11.8352                19.1875
  Dep-P Fr= 1--      0.7500                 0.7482                 0.5882
  Dep-U Fr= 1--      0.8571                 0.8560                 0.7407
 Alpha2 Fr= 1--      0.0000                 0.0004                 0.0579
 Beta2  Fr= 1--      0.7466                 1.6884                 2.3687
 AlphaG Fr= 1--     -0.0001                -0.0176                -0.2165
 Gamma2 Fr= 1--    -30.4326                17.6116                24.6830
 Delta2 Fr= 1--    -12.8414                12.4593                13.0292
 Raman1 Fr= 1--      20.906                 47.341                 76.750
 ROA1   Fr= 1--   -3332.451               2089.411               2786.508
 CID1   Fr= 1--    -159.403                 44.135                 36.306
 Raman2 Fr= 1--       8.960                 20.261                 28.424
 ROA2   Fr= 1--    -627.651                323.005                488.159
 CID2   Fr= 1--     -70.054                 15.942                 17.174
 Raman3 Fr= 1--      17.919                 40.523                 56.848
 ROA3   Fr= 1--   -3332.451               2089.411               2786.508
 CID3   Fr= 1--    -185.972                 51.562                 49.016
 RC180  Fr= 1--       0.714                  0.712                  0.481
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.02   0.00    -0.04  -0.03   0.01    -0.00  -0.03   0.06
     2   6    -0.02   0.01  -0.04    -0.01   0.01  -0.06     0.02   0.03  -0.04
     3   6     0.03  -0.03   0.00     0.05  -0.03   0.00     0.00  -0.04  -0.00
     4   6     0.00   0.02   0.00     0.00   0.02   0.01     0.02   0.06   0.01
     5   6     0.06  -0.00  -0.01     0.08  -0.02  -0.03    -0.06  -0.03  -0.03
     6   6     0.02   0.01   0.01     0.02   0.01   0.00     0.05  -0.03  -0.06
     7   6    -0.02  -0.01   0.06    -0.04  -0.01   0.08     0.06   0.01   0.03
     8   8    -0.02   0.00  -0.00    -0.02   0.00  -0.00    -0.00  -0.01  -0.00
     9  29     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    10   8    -0.01  -0.00  -0.00    -0.02  -0.00  -0.00    -0.01   0.01   0.00
    11   6     0.01  -0.01  -0.00     0.01  -0.00  -0.00     0.03  -0.06  -0.01
    12   6     0.02   0.04   0.01     0.02   0.01   0.01    -0.00   0.10   0.02
    13   9    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.01   0.00
    14   6    -0.02  -0.00   0.01    -0.03   0.00   0.01     0.02   0.00   0.01
    15   6     0.00   0.01  -0.02     0.01   0.01  -0.03    -0.01  -0.01  -0.01
    16   6     0.00  -0.00  -0.01     0.01   0.00  -0.02    -0.02   0.00  -0.01
    17   8    -0.02   0.00   0.00     0.02  -0.00  -0.00     0.00   0.01  -0.00
    18   6     0.00   0.02  -0.01    -0.00  -0.02   0.01    -0.02  -0.06   0.01
    19   6     0.07  -0.01   0.02    -0.07   0.02  -0.02     0.06   0.03  -0.03
    20   6    -0.03  -0.01  -0.07     0.03   0.01   0.07    -0.06  -0.01   0.03
    21   6    -0.02   0.01   0.05     0.01  -0.01  -0.05    -0.02  -0.03  -0.04
    22   6     0.04  -0.03  -0.00    -0.04   0.02   0.00    -0.00   0.04  -0.00
    23   6    -0.04  -0.03  -0.00     0.04   0.03   0.01     0.00   0.03   0.06
    24   6     0.02   0.02  -0.01    -0.02  -0.01   0.00    -0.05   0.03  -0.06
    25   6     0.01  -0.00   0.02    -0.01  -0.00  -0.02     0.02  -0.00  -0.01
    26   6     0.00   0.01   0.02    -0.01  -0.01  -0.02     0.01   0.01  -0.01
    27   6    -0.03  -0.00  -0.01     0.02  -0.00   0.01    -0.02  -0.00   0.01
    28   6     0.01  -0.01   0.00    -0.01   0.00  -0.00    -0.03   0.06  -0.01
    29   6     0.02   0.04  -0.01    -0.02  -0.01   0.01     0.00  -0.10   0.02
    30   9    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.01   0.00
    31   8    -0.01  -0.00   0.00     0.02   0.00  -0.00     0.01  -0.01   0.00
    32   9    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.01  -0.01
    33   9    -0.01  -0.01   0.00     0.00   0.00  -0.00     0.01   0.02  -0.01
    34   9    -0.01  -0.01  -0.00    -0.01  -0.01  -0.00    -0.01  -0.02  -0.01
    35   9    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.01  -0.01  -0.01
    36   1    -0.20   0.24  -0.23     0.17  -0.21   0.21     0.06  -0.08   0.06
    37   1     0.17  -0.24   0.22    -0.13   0.19  -0.17     0.28  -0.25   0.35
    38   1    -0.08   0.34   0.10     0.07  -0.28  -0.07     0.03  -0.10  -0.06
    39   1     0.07  -0.20  -0.06    -0.06   0.14   0.03     0.05  -0.24  -0.09
    40   1    -0.12   0.00  -0.17     0.13   0.01   0.17     0.17   0.04   0.16
    41   1    -0.00   0.02   0.03    -0.00  -0.02  -0.04     0.00   0.03   0.06
    42   1     0.01   0.02   0.04    -0.01  -0.02  -0.04    -0.06   0.01   0.01
    43   1     0.02   0.01   0.02    -0.02  -0.01  -0.02    -0.04  -0.04  -0.04
    44   1     0.09   0.04  -0.02    -0.09  -0.04   0.02    -0.01  -0.00   0.00
    45   1    -0.04   0.00  -0.04     0.03  -0.01   0.05     0.03   0.01   0.02
    46   1    -0.02  -0.04  -0.04     0.02   0.04   0.03     0.04   0.03   0.02
    47   1     0.04   0.06   0.01    -0.03  -0.06  -0.01     0.02   0.04   0.02
    48   1     0.02  -0.05   0.02    -0.01   0.04  -0.01     0.04  -0.08  -0.01
    49   1     0.05   0.07  -0.04    -0.04  -0.07   0.04     0.08  -0.05  -0.02
    50   1     0.01   0.02  -0.04     0.01   0.02  -0.05     0.06  -0.01   0.01
    51   1    -0.00   0.02  -0.02     0.00   0.02  -0.04    -0.00  -0.03   0.06
    52   1     0.01   0.01  -0.01     0.02   0.01  -0.02     0.04   0.04  -0.04
    53   1    -0.01  -0.03   0.03    -0.02  -0.04   0.04    -0.04  -0.03   0.02
    54   1    -0.03   0.00   0.04    -0.04   0.01   0.05    -0.03  -0.01   0.02
    55   1     0.07   0.03   0.02     0.10   0.05   0.03     0.01   0.00   0.00
    56   1    -0.07   0.29  -0.08    -0.08   0.33  -0.09    -0.03   0.10  -0.06
    57   1     0.07  -0.18   0.05     0.07  -0.17   0.04    -0.05   0.24  -0.09
    58   1     0.15  -0.21  -0.19     0.16  -0.23  -0.20    -0.28   0.25   0.35
    59   1    -0.17   0.21   0.19    -0.21   0.25   0.24    -0.06   0.08   0.06
    60   1    -0.10   0.00   0.14    -0.15  -0.01   0.20    -0.17  -0.04   0.16
    61   1     0.01  -0.04  -0.02     0.01  -0.04  -0.02    -0.04   0.09  -0.01
    62   1     0.03   0.05  -0.01     0.04   0.07  -0.01    -0.02  -0.04   0.02
    63   1     0.04   0.06   0.03     0.04   0.08   0.04    -0.08   0.05  -0.02
                    121                    122                    123
                      A                      A                      A
 Frequencies --   1296.7547              1315.6753              1316.4164
 Red. masses --      2.1166                 2.1902                 2.1804
 Frc consts  --      2.0970                 2.2337                 2.2262
 IR Inten    --    251.1811                 0.2477                50.2295
 RamAct Fr= 1--      3.6386                31.1053                 1.6812
  Dep-P Fr= 1--      0.7500                 0.7358                 0.7500
  Dep-U Fr= 1--      0.8571                 0.8478                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0076                 0.0000
 Beta2  Fr= 1--      0.5198                 4.3950                 0.2402
 AlphaG Fr= 1--     -0.0000                -0.0005                -0.0000
 Gamma2 Fr= 1--    -20.3353               -18.7998                14.8310
 Delta2 Fr= 1--      0.8109                -8.5659                 1.8974
 Raman1 Fr= 1--      14.554                124.421                  6.725
 ROA1   Fr= 1--   -1926.242              -2078.891               1484.497
 CID1   Fr= 1--    -132.349                -16.708                220.755
 Raman2 Fr= 1--       6.238                 52.740                  2.882
 ROA2   Fr= 1--    -494.535               -382.669                340.766
 CID2   Fr= 1--     -79.284                 -7.256                118.244
 Raman3 Fr= 1--      12.475                105.481                  5.764
 ROA3   Fr= 1--   -1926.242              -2078.891               1484.497
 CID3   Fr= 1--    -154.408                -19.709                257.556
 RC180  Fr= 1--       0.714                  0.696                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.03  -0.06    -0.01  -0.04   0.01     0.01   0.05  -0.01
     2   6    -0.01  -0.03   0.04     0.09   0.06   0.05    -0.09  -0.07  -0.05
     3   6    -0.01   0.04   0.00    -0.01  -0.00   0.00     0.01   0.01  -0.00
     4   6    -0.02  -0.06  -0.01    -0.01   0.01   0.00     0.01  -0.01  -0.00
     5   6     0.07   0.03   0.03     0.05   0.01   0.04    -0.05  -0.02  -0.04
     6   6    -0.05   0.03   0.06    -0.01   0.00  -0.01     0.01   0.00   0.02
     7   6    -0.06  -0.01  -0.04    -0.12  -0.02  -0.08     0.11   0.03   0.08
     8   8     0.01   0.01   0.00     0.01  -0.01   0.00    -0.00   0.00  -0.00
     9  29     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    10   8     0.01  -0.01  -0.00    -0.01   0.01   0.00     0.01  -0.01  -0.00
    11   6    -0.02   0.06   0.01     0.02  -0.05  -0.01    -0.02   0.05   0.01
    12   6    -0.00  -0.10  -0.02     0.00   0.06   0.01    -0.01  -0.07  -0.01
    13   9    -0.00   0.01  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    14   6    -0.02  -0.00  -0.02    -0.02   0.00  -0.02     0.02  -0.00   0.02
    15   6     0.01   0.00   0.01     0.03  -0.00   0.02    -0.03   0.00  -0.02
    16   6     0.02  -0.00   0.01     0.04   0.01   0.03    -0.04  -0.01  -0.03
    17   8     0.01   0.01  -0.00    -0.01   0.01   0.00    -0.00   0.00   0.00
    18   6    -0.02  -0.06   0.01     0.01  -0.01   0.00     0.01  -0.01   0.00
    19   6     0.07   0.03  -0.03    -0.05  -0.01   0.04    -0.05  -0.02   0.04
    20   6    -0.06  -0.01   0.04     0.12   0.02  -0.08     0.11   0.03  -0.08
    21   6    -0.01  -0.03  -0.04    -0.09  -0.06   0.05    -0.09  -0.06   0.05
    22   6    -0.01   0.04  -0.00     0.01   0.00   0.00     0.01   0.01   0.00
    23   6     0.00   0.03   0.06     0.01   0.04   0.01     0.01   0.04   0.01
    24   6    -0.05   0.03  -0.06     0.01  -0.00  -0.01     0.01   0.00  -0.02
    25   6     0.02  -0.00  -0.01    -0.04  -0.01   0.03    -0.03  -0.01   0.03
    26   6     0.01   0.00  -0.01    -0.03   0.00   0.02    -0.02   0.00   0.02
    27   6    -0.02  -0.00   0.02     0.02  -0.00  -0.02     0.02  -0.00  -0.02
    28   6    -0.02   0.06  -0.01    -0.02   0.05  -0.01    -0.02   0.05  -0.01
    29   6    -0.00  -0.10   0.02    -0.01  -0.06   0.01    -0.01  -0.06   0.01
    30   9    -0.00   0.01   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    31   8     0.01  -0.01   0.00     0.02  -0.01   0.00     0.01  -0.01   0.00
    32   9    -0.01   0.01  -0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    33   9     0.02   0.02  -0.01     0.01   0.01  -0.00     0.01   0.02  -0.00
    34   9     0.02   0.02   0.01    -0.01  -0.01  -0.00     0.01   0.02   0.00
    35   9    -0.01   0.01   0.01     0.00  -0.00  -0.00    -0.00   0.00   0.00
    36   1     0.07  -0.08   0.07     0.02  -0.02   0.08     0.03  -0.03   0.09
    37   1     0.28  -0.25   0.36    -0.03   0.02  -0.07    -0.02   0.00  -0.05
    38   1     0.03  -0.11  -0.07     0.00  -0.00   0.06     0.01  -0.02   0.05
    39   1     0.05  -0.22  -0.08     0.01  -0.26  -0.19     0.01  -0.26  -0.19
    40   1     0.16   0.03   0.17     0.33   0.28  -0.25     0.32   0.27  -0.24
    41   1     0.00   0.04   0.06    -0.02  -0.03  -0.13    -0.02  -0.03  -0.13
    42   1    -0.07   0.01   0.01     0.12  -0.02   0.01     0.11  -0.02   0.01
    43   1    -0.04  -0.04  -0.04     0.08   0.09   0.01     0.07   0.09   0.01
    44   1    -0.01   0.00   0.00     0.03  -0.01  -0.00     0.02  -0.00  -0.00
    45   1     0.04   0.01   0.02    -0.09  -0.02  -0.05    -0.08  -0.02  -0.05
    46   1     0.04   0.03   0.02    -0.04  -0.07  -0.06    -0.04  -0.06  -0.06
    47   1     0.01   0.04   0.01    -0.00  -0.05   0.00    -0.00  -0.04  -0.00
    48   1     0.04  -0.09  -0.01    -0.04   0.09   0.03    -0.04   0.08   0.02
    49   1     0.08  -0.05  -0.02    -0.08   0.04   0.02    -0.08   0.04   0.02
    50   1    -0.07   0.01  -0.01    -0.12   0.02   0.01     0.11  -0.02  -0.01
    51   1     0.00   0.04  -0.06     0.02   0.03  -0.13    -0.02  -0.03   0.13
    52   1    -0.04  -0.04   0.04    -0.07  -0.09   0.01     0.07   0.09  -0.01
    53   1     0.04   0.03  -0.02     0.04   0.06  -0.06    -0.04  -0.06   0.06
    54   1     0.04   0.01  -0.02     0.08   0.02  -0.05    -0.08  -0.02   0.06
    55   1    -0.01   0.00  -0.00    -0.03   0.01  -0.00     0.03  -0.00   0.00
    56   1     0.03  -0.11   0.07    -0.00   0.00   0.06     0.01  -0.02  -0.05
    57   1     0.04  -0.22   0.08    -0.01   0.25  -0.18     0.01  -0.27   0.19
    58   1     0.28  -0.25  -0.36     0.03  -0.02  -0.07    -0.02   0.00   0.05
    59   1     0.07  -0.08  -0.07    -0.02   0.02   0.08     0.03  -0.03  -0.09
    60   1     0.16   0.03  -0.17    -0.32  -0.28  -0.25     0.33   0.28   0.25
    61   1     0.04  -0.09   0.01     0.04  -0.08   0.03    -0.04   0.08  -0.02
    62   1     0.02   0.04  -0.01     0.00   0.05   0.00    -0.00  -0.04   0.00
    63   1     0.08  -0.05   0.02     0.08  -0.04   0.02    -0.08   0.04  -0.02
                    124                    125                    126
                      A                      A                      A
 Frequencies --   1330.2987              1330.3971              1356.0026
 Red. masses --      1.5815                 1.5829                 2.9857
 Frc consts  --      1.6490                 1.6507                 3.2345
 IR Inten    --      3.9791                 9.5510                 0.1295
 RamAct Fr= 1--     11.9497                 6.3018                23.6676
  Dep-P Fr= 1--      0.7016                 0.7344                 0.7413
  Dep-U Fr= 1--      0.8246                 0.8469                 0.8514
 Alpha2 Fr= 1--      0.0101                 0.0017                 0.0035
 Beta2  Fr= 1--      1.6424                 0.8895                 3.3586
 AlphaG Fr= 1--     -0.0339                -0.0057                -0.0752
 Gamma2 Fr= 1--     11.2164               -20.1130                 0.8532
 Delta2 Fr= 1--      7.2975                -9.3735                11.3695
 Raman1 Fr= 1--      47.799                 25.207                 94.671
 ROA1   Fr= 1--    1310.298              -2230.804                445.728
 CID1   Fr= 1--      27.413                -88.498                  4.708
 Raman2 Fr= 1--      19.708                 10.674                 40.303
 ROA2   Fr= 1--     210.815               -407.724                -70.480
 CID2   Fr= 1--      10.697                -38.199                 -1.749
 Raman3 Fr= 1--      39.417                 21.347                 80.605
 ROA3   Fr= 1--    1310.298              -2230.804                445.728
 CID3   Fr= 1--      33.242               -104.500                  5.530
 RC180  Fr= 1--       0.649                  0.694                  0.703
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.05  -0.02     0.04  -0.12   0.05    -0.02   0.01   0.01
     2   6     0.04  -0.01  -0.02    -0.10   0.02   0.05     0.04  -0.01  -0.02
     3   6    -0.02   0.00   0.00     0.04  -0.01  -0.00    -0.04   0.01   0.00
     4   6     0.00   0.01   0.00    -0.01  -0.02  -0.00    -0.01  -0.11  -0.02
     5   6    -0.00  -0.00  -0.01     0.00   0.01   0.02     0.01   0.21   0.04
     6   6    -0.01  -0.00   0.01     0.01   0.01  -0.02     0.04  -0.08  -0.06
     7   6    -0.01   0.01   0.01     0.02  -0.02  -0.03     0.00  -0.06   0.01
     8   8     0.00  -0.00  -0.00    -0.00   0.01   0.00     0.00   0.02   0.00
     9  29     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    10   8     0.00   0.00   0.00    -0.00  -0.01  -0.00     0.05  -0.00  -0.00
    11   6     0.00  -0.02  -0.00    -0.01   0.06   0.01    -0.07   0.05   0.01
    12   6    -0.00   0.02   0.00     0.00  -0.05  -0.01     0.01  -0.04  -0.01
    13   9     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    14   6     0.00   0.00   0.00     0.00  -0.00  -0.01    -0.00  -0.04   0.00
    15   6     0.00  -0.01  -0.01    -0.00   0.01   0.01    -0.02   0.02  -0.01
    16   6     0.00  -0.00  -0.00    -0.00   0.01   0.01    -0.01   0.02  -0.01
    17   8    -0.01   0.01  -0.00    -0.00   0.00  -0.00    -0.00  -0.02   0.00
    18   6    -0.01  -0.02   0.00    -0.00  -0.01   0.00     0.01   0.11  -0.02
    19   6     0.00   0.01  -0.02     0.00   0.00  -0.01    -0.01  -0.20   0.04
    20   6     0.02  -0.02   0.03     0.01  -0.01   0.01    -0.00   0.06   0.01
    21   6    -0.10   0.02  -0.05    -0.04   0.01  -0.02    -0.04   0.01  -0.02
    22   6     0.04  -0.01   0.00     0.02  -0.00   0.00     0.04  -0.01   0.00
    23   6     0.04  -0.12  -0.05     0.02  -0.05  -0.02     0.02  -0.01   0.01
    24   6     0.02   0.01   0.03     0.01   0.00   0.01    -0.04   0.07  -0.06
    25   6    -0.00   0.01  -0.01    -0.00   0.00  -0.00     0.00  -0.02  -0.01
    26   6    -0.00   0.01  -0.01    -0.00   0.01  -0.00     0.02  -0.02  -0.01
    27   6    -0.00  -0.00   0.01     0.00  -0.00   0.00     0.00   0.04   0.00
    28   6    -0.01   0.06  -0.01    -0.00   0.02  -0.00     0.06  -0.05   0.01
    29   6     0.00  -0.05   0.01     0.00  -0.02   0.00    -0.01   0.04  -0.01
    30   9    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    31   8    -0.00  -0.01   0.00    -0.00  -0.00   0.00    -0.05   0.00  -0.00
    32   9    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    33   9     0.01   0.01  -0.00     0.00   0.01  -0.00    -0.00  -0.01   0.00
    34   9    -0.00  -0.00  -0.00     0.01   0.01   0.00     0.00   0.01   0.00
    35   9     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    36   1    -0.04   0.07  -0.03    -0.01   0.03  -0.01     0.25  -0.24   0.32
    37   1    -0.03   0.04  -0.02    -0.01   0.01  -0.01     0.12  -0.18   0.17
    38   1    -0.05   0.50   0.34    -0.02   0.21   0.14     0.01   0.05   0.05
    39   1    -0.04   0.35   0.22    -0.02   0.14   0.09    -0.01   0.00   0.00
    40   1     0.31   0.19   0.35     0.14   0.08   0.14     0.06   0.04   0.12
    41   1     0.01  -0.02  -0.00     0.00  -0.01  -0.00    -0.02   0.05  -0.01
    42   1    -0.01  -0.01  -0.02    -0.00  -0.00  -0.01    -0.03   0.03   0.05
    43   1    -0.01  -0.02   0.02    -0.00  -0.01   0.01     0.01   0.00  -0.02
    44   1    -0.02  -0.05   0.02    -0.01  -0.02   0.01    -0.09   0.04   0.01
    45   1    -0.02  -0.03   0.04    -0.01  -0.01   0.02     0.00  -0.02  -0.00
    46   1     0.03   0.02  -0.00     0.01   0.01  -0.00    -0.08   0.03   0.04
    47   1    -0.01   0.01  -0.01    -0.01   0.01  -0.01    -0.06   0.08  -0.11
    48   1     0.00  -0.01  -0.03     0.00  -0.00  -0.01    -0.06   0.12  -0.10
    49   1     0.02  -0.02   0.00     0.01  -0.01   0.00    -0.03   0.08   0.01
    50   1     0.00   0.00  -0.01    -0.01  -0.01   0.02     0.03  -0.03   0.05
    51   1    -0.00   0.01  -0.00     0.01  -0.02   0.01     0.02  -0.05  -0.01
    52   1     0.00   0.01   0.01    -0.01  -0.02  -0.02    -0.01  -0.00  -0.02
    53   1    -0.01  -0.01  -0.00     0.03   0.01   0.00     0.09  -0.03   0.04
    54   1     0.01   0.01   0.02    -0.02  -0.03  -0.04    -0.00   0.02  -0.00
    55   1     0.01   0.02   0.01    -0.02  -0.05  -0.02     0.09  -0.04   0.01
    56   1     0.02  -0.21   0.14    -0.05   0.50  -0.34    -0.01  -0.05   0.05
    57   1     0.02  -0.15   0.09    -0.04   0.34  -0.22     0.01  -0.00   0.00
    58   1     0.01  -0.02  -0.01    -0.03   0.04   0.02    -0.12   0.18   0.17
    59   1     0.02  -0.03  -0.02    -0.04   0.07   0.03    -0.26   0.24   0.32
    60   1    -0.13  -0.08   0.14     0.32   0.19  -0.34    -0.06  -0.04   0.13
    61   1    -0.00   0.00  -0.01     0.00  -0.01   0.03     0.06  -0.12  -0.10
    62   1     0.00  -0.01  -0.01    -0.01   0.01   0.02     0.06  -0.09  -0.11
    63   1    -0.01   0.01   0.00     0.02  -0.02  -0.00     0.03  -0.08   0.01
                    127                    128                    129
                      A                      A                      A
 Frequencies --   1356.8381              1408.5810              1408.6872
 Red. masses --      3.0367                 1.2417                 1.2427
 Frc consts  --      3.2939                 1.4515                 1.4530
 IR Inten    --     72.6819                 4.4711                 3.2950
 RamAct Fr= 1--      4.1262                 0.1350                 0.5293
  Dep-P Fr= 1--      0.7500                 0.7389                 0.2344
  Dep-U Fr= 1--      0.8571                 0.8498                 0.3798
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0065
 Beta2  Fr= 1--      0.5895                 0.0191                 0.0335
 AlphaG Fr= 1--     -0.0000                -0.0001                -0.0134
 Gamma2 Fr= 1--    -14.2094                 0.1480                 0.2032
 Delta2 Fr= 1--    -19.1807                 0.1676                -0.0616
 Raman1 Fr= 1--      16.505                  0.540                  2.117
 ROA1   Fr= 1--   -1977.883                 19.573                 17.533
 CID1   Fr= 1--    -119.838                 36.239                  8.281
 Raman2 Fr= 1--       7.073                  0.230                  0.402
 ROA2   Fr= 1--    -187.579                  2.211                  5.369
 CID2   Fr= 1--     -26.519                  9.636                 13.351
 Raman3 Fr= 1--      14.147                  0.459                  0.804
 ROA3   Fr= 1--   -1977.883                 19.573                 17.533
 CID3   Fr= 1--    -139.811                 42.643                 21.801
 RC180  Fr= 1--       0.714                  0.700                 -0.240
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01   0.01     0.00  -0.00  -0.00    -0.00   0.00   0.00
     2   6     0.04  -0.01  -0.02    -0.01  -0.00   0.00     0.01   0.00  -0.00
     3   6    -0.04   0.01   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     4   6    -0.02  -0.11  -0.02     0.00   0.00   0.00    -0.00  -0.00  -0.00
     5   6     0.01   0.20   0.04    -0.00  -0.00  -0.00     0.00   0.00   0.00
     6   6     0.04  -0.08  -0.06     0.00   0.00   0.00    -0.00  -0.00  -0.00
     7   6     0.01  -0.06   0.01     0.02   0.01  -0.01    -0.01  -0.01   0.01
     8   8     0.01   0.02   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     9  29    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    10   8     0.04  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    11   6    -0.06   0.05   0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
    12   6     0.01  -0.04  -0.01    -0.00   0.00   0.00     0.00  -0.00  -0.00
    13   9    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    14   6    -0.00  -0.04   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    15   6    -0.02   0.02  -0.01    -0.07  -0.03  -0.01     0.06   0.02   0.01
    16   6    -0.01   0.02  -0.01    -0.02  -0.02   0.07     0.02   0.02  -0.06
    17   8     0.01   0.02  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    18   6    -0.02  -0.12   0.02     0.00   0.00  -0.00     0.01   0.00  -0.00
    19   6     0.01   0.21  -0.04    -0.00  -0.00   0.00    -0.00  -0.01   0.00
    20   6     0.01  -0.06  -0.01     0.01   0.01   0.01     0.02   0.01   0.01
    21   6     0.04  -0.01   0.02    -0.01  -0.00  -0.00    -0.01  -0.00  -0.00
    22   6    -0.05   0.01  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    23   6    -0.02   0.01  -0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
    24   6     0.04  -0.08   0.06     0.00   0.00  -0.00     0.00   0.00  -0.00
    25   6    -0.01   0.02   0.01    -0.02  -0.02  -0.06    -0.02  -0.02  -0.07
    26   6    -0.02   0.02   0.01    -0.06  -0.02   0.01    -0.07  -0.03   0.01
    27   6    -0.00  -0.04  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    28   6    -0.06   0.06  -0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    29   6     0.01  -0.05   0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    30   9    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    31   8     0.05  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    32   9    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    33   9     0.01   0.01  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    34   9     0.00   0.01   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    35   9    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    36   1    -0.26   0.24  -0.32     0.02  -0.01  -0.00     0.02  -0.02  -0.00
    37   1    -0.12   0.18  -0.17    -0.02  -0.02  -0.01    -0.02  -0.03  -0.01
    38   1    -0.01  -0.05  -0.04     0.00   0.01  -0.01     0.00   0.02  -0.01
    39   1     0.02  -0.01  -0.00    -0.02  -0.00  -0.01    -0.03  -0.00  -0.02
    40   1    -0.04  -0.03  -0.13     0.01   0.00   0.00     0.01   0.00   0.01
    41   1     0.02  -0.05   0.01    -0.03   0.02   0.24    -0.04   0.02   0.28
    42   1     0.03  -0.03  -0.05     0.08   0.16   0.20     0.09   0.18   0.23
    43   1    -0.01   0.00   0.02     0.14  -0.02   0.22     0.16  -0.02   0.24
    44   1     0.09  -0.04  -0.01     0.21   0.06  -0.13     0.24   0.06  -0.14
    45   1    -0.01   0.02   0.00     0.20   0.20   0.00     0.23   0.23   0.00
    46   1     0.08  -0.03  -0.05     0.28   0.00   0.03     0.32   0.00   0.03
    47   1     0.06  -0.09   0.11    -0.02  -0.01  -0.02    -0.02  -0.01  -0.02
    48   1     0.06  -0.12   0.10     0.01  -0.01  -0.01     0.01  -0.01  -0.01
    49   1     0.03  -0.08  -0.01    -0.01   0.01   0.01    -0.02   0.01   0.01
    50   1     0.03  -0.03   0.05     0.09   0.18  -0.23    -0.08  -0.16   0.20
    51   1     0.02  -0.05  -0.01    -0.04   0.02  -0.28     0.03  -0.02   0.24
    52   1    -0.01   0.00  -0.02     0.16  -0.02  -0.25    -0.14   0.02   0.22
    53   1     0.08  -0.03   0.05     0.32   0.00  -0.03    -0.28  -0.00   0.03
    54   1    -0.01   0.02  -0.00     0.23   0.23  -0.00    -0.20  -0.20   0.00
    55   1     0.09  -0.04   0.01     0.24   0.06   0.14    -0.21  -0.06  -0.13
    56   1    -0.01  -0.05   0.04     0.00   0.02   0.01    -0.00  -0.01  -0.01
    57   1     0.01  -0.01   0.00    -0.03  -0.00   0.01     0.02   0.00  -0.01
    58   1    -0.12   0.18   0.17    -0.02  -0.03   0.01     0.02   0.02  -0.01
    59   1    -0.25   0.24   0.31     0.02  -0.01   0.00    -0.02   0.01  -0.00
    60   1    -0.04  -0.03   0.13     0.01   0.00  -0.01    -0.01  -0.00   0.01
    61   1     0.06  -0.12  -0.10     0.01  -0.01   0.01    -0.01   0.01  -0.01
    62   1     0.06  -0.09  -0.11    -0.02  -0.01   0.02     0.02   0.01  -0.02
    63   1     0.03  -0.08   0.01    -0.02   0.01  -0.01     0.01  -0.00   0.01
                    130                    131                    132
                      A                      A                      A
 Frequencies --   1418.9216              1418.9383              1429.4292
 Red. masses --      1.2957                 1.2962                 1.2448
 Frc consts  --      1.5370                 1.5376                 1.4986
 IR Inten    --     13.1720                 9.7301                16.4723
 RamAct Fr= 1--      0.5656                 0.6687                 3.6512
  Dep-P Fr= 1--      0.3353                 0.2868                 0.0920
  Dep-U Fr= 1--      0.5022                 0.4458                 0.1685
 Alpha2 Fr= 1--      0.0052                 0.0071                 0.0652
 Beta2  Fr= 1--      0.0473                 0.0497                 0.1025
 AlphaG Fr= 1--      0.0142                 0.0194                 0.1001
 Gamma2 Fr= 1--     -0.1047                -0.0575                 1.0318
 Delta2 Fr= 1--     -0.1956                -0.1132                 0.0596
 Raman1 Fr= 1--       2.262                  2.675                 14.605
 ROA1   Fr= 1--     -16.313                 -9.146                100.963
 CID1   Fr= 1--      -7.211                 -3.419                  6.913
 Raman2 Fr= 1--       0.568                  0.596                  1.230
 ROA2   Fr= 1--      -0.948                 -0.475                 24.286
 CID2   Fr= 1--      -1.669                 -0.796                 19.739
 Raman3 Fr= 1--       1.136                  1.192                  2.461
 ROA3   Fr= 1--     -16.313                 -9.146                100.963
 CID3   Fr= 1--     -14.359                 -7.671                 41.029
 RC180  Fr= 1--       0.004                 -0.108                 -0.663
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     2   6     0.01  -0.01  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.01
     3   6    -0.01  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.01   0.00
     4   6    -0.02  -0.01  -0.00     0.00   0.00   0.00    -0.02  -0.00  -0.00
     5   6    -0.00   0.04   0.02     0.00  -0.00  -0.00     0.00   0.01   0.01
     6   6     0.00  -0.01  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     7   6    -0.00  -0.01  -0.01     0.00   0.00   0.00     0.00  -0.00   0.00
     8   8     0.01  -0.00   0.00    -0.00   0.00  -0.00     0.01  -0.00   0.00
     9  29     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    10   8     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.01   0.00   0.00
    11   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.02  -0.01  -0.00
    12   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    13   9    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    14   6     0.03  -0.13  -0.05    -0.00   0.01   0.00     0.00  -0.04  -0.02
    15   6     0.03   0.01   0.01    -0.00  -0.00  -0.00    -0.06  -0.02  -0.01
    16   6    -0.01  -0.01   0.04     0.00   0.00  -0.00     0.02   0.01  -0.06
    17   8     0.00   0.00  -0.00     0.01  -0.00  -0.00    -0.01   0.00   0.00
    18   6    -0.00  -0.00   0.00    -0.02  -0.01   0.00     0.02   0.00  -0.00
    19   6    -0.00   0.00  -0.00    -0.00   0.04  -0.02    -0.00  -0.00   0.01
    20   6    -0.00  -0.00   0.00    -0.00  -0.01   0.01    -0.00   0.00   0.00
    21   6     0.00  -0.00   0.00     0.01  -0.01   0.00    -0.00   0.00   0.01
    22   6    -0.00  -0.00  -0.00    -0.01  -0.00  -0.00     0.00  -0.01   0.00
    23   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    24   6     0.00  -0.00  -0.00     0.00  -0.01   0.00     0.00  -0.00  -0.00
    25   6    -0.00  -0.00  -0.00    -0.01  -0.01  -0.04    -0.01  -0.01  -0.06
    26   6     0.00   0.00  -0.00     0.03   0.01  -0.01     0.05   0.02  -0.01
    27   6     0.00  -0.01   0.00     0.03  -0.13   0.05    -0.00   0.03  -0.01
    28   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.02   0.01  -0.00
    29   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    30   9    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    31   8     0.00   0.00  -0.00     0.00  -0.00   0.00     0.01  -0.00   0.00
    32   9    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    33   9    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    34   9     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    35   9    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    36   1    -0.00   0.00  -0.00    -0.01   0.01  -0.02    -0.01   0.01   0.02
    37   1     0.00   0.00   0.00     0.01   0.00   0.00     0.01   0.03  -0.00
    38   1     0.00  -0.00  -0.00     0.00  -0.02  -0.00    -0.00  -0.01   0.02
    39   1     0.00  -0.00  -0.00     0.01  -0.02  -0.01     0.02  -0.01  -0.00
    40   1    -0.00  -0.00  -0.00     0.00  -0.01  -0.00    -0.01   0.00  -0.02
    41   1    -0.00   0.00   0.01    -0.02   0.01   0.15    -0.03   0.01   0.25
    42   1     0.00   0.01   0.01     0.01   0.12   0.14     0.06   0.17   0.20
    43   1     0.01  -0.00   0.01     0.07  -0.05   0.17     0.12  -0.03   0.22
    44   1    -0.01  -0.00   0.01    -0.10  -0.03   0.06    -0.19  -0.05   0.11
    45   1    -0.01  -0.01   0.00    -0.11  -0.13   0.04    -0.17  -0.19   0.02
    46   1    -0.01   0.00   0.00    -0.16   0.03   0.01    -0.25   0.02  -0.01
    47   1     0.01   0.03  -0.03     0.08   0.44  -0.32    -0.02  -0.11   0.08
    48   1    -0.03   0.03  -0.01    -0.33   0.38  -0.14     0.09  -0.11   0.07
    49   1    -0.00   0.04   0.00    -0.04   0.48   0.01    -0.02  -0.14   0.01
    50   1     0.01   0.12  -0.14    -0.00  -0.01   0.01    -0.07  -0.18   0.22
    51   1    -0.02   0.01  -0.15     0.00  -0.00   0.01     0.03  -0.01   0.27
    52   1     0.07  -0.05  -0.17    -0.01   0.00   0.01    -0.14   0.04   0.24
    53   1    -0.16   0.03  -0.01     0.01  -0.00   0.00     0.28  -0.02  -0.01
    54   1    -0.11  -0.13  -0.04     0.01   0.01   0.00     0.19   0.21   0.02
    55   1    -0.10  -0.03  -0.06     0.01   0.00   0.00     0.21   0.05   0.12
    56   1     0.00  -0.02   0.00    -0.00   0.00  -0.00     0.00   0.01   0.02
    57   1     0.01  -0.02   0.01    -0.00   0.00  -0.00    -0.02   0.01  -0.00
    58   1     0.01   0.00  -0.00    -0.00  -0.00   0.00    -0.01  -0.03  -0.00
    59   1    -0.01   0.01   0.01     0.00  -0.00  -0.00     0.02  -0.01   0.02
    60   1     0.00  -0.01   0.00    -0.00   0.00  -0.00     0.01  -0.00  -0.03
    61   1    -0.33   0.38   0.14     0.03  -0.03  -0.01    -0.10   0.12   0.07
    62   1     0.08   0.44   0.32    -0.01  -0.04  -0.03     0.03   0.13   0.08
    63   1    -0.04   0.48  -0.01     0.00  -0.04   0.00     0.02   0.16   0.01
                    133                    134                    135
                      A                      A                      A
 Frequencies --   1429.5443              1458.3969              1471.5108
 Red. masses --      1.2313                 6.3456                 5.8097
 Frc consts  --      1.4825                 7.9520                 7.4119
 IR Inten    --     14.7234                 0.4997                92.9174
 RamAct Fr= 1--      0.3045                30.5134                 2.3028
  Dep-P Fr= 1--      0.7190                 0.7479                 0.7500
  Dep-U Fr= 1--      0.8365                 0.8558                 0.8571
 Alpha2 Fr= 1--      0.0002                 0.0011                 0.0000
 Beta2  Fr= 1--      0.0425                 4.3521                 0.3290
 AlphaG Fr= 1--      0.0003                -0.0003                 0.0000
 Gamma2 Fr= 1--     -1.8217                33.9849               -50.8787
 Delta2 Fr= 1--      0.1326                11.4228                -0.0237
 Raman1 Fr= 1--       1.218                122.053                  9.211
 ROA1   Fr= 1--    -170.646               3628.085              -4885.118
 CID1   Fr= 1--    -140.083                 29.725               -530.347
 Raman2 Fr= 1--       0.510                 52.225                  3.948
 ROA2   Fr= 1--     -44.782                724.256              -1220.900
 CID2   Fr= 1--     -87.891                 13.868               -309.274
 Raman3 Fr= 1--       1.019                104.450                  7.895
 ROA3   Fr= 1--    -170.646               3628.085              -4885.118
 CID3   Fr= 1--    -167.457                 34.735               -618.741
 RC180  Fr= 1--       0.673                  0.712                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00  -0.01  -0.01    -0.00   0.01   0.01
     2   6     0.00   0.00   0.01     0.01   0.06   0.01    -0.01  -0.06  -0.01
     3   6    -0.00   0.01   0.00     0.04  -0.13  -0.01    -0.03   0.15   0.02
     4   6    -0.01  -0.00  -0.00     0.22   0.06   0.01    -0.18  -0.07  -0.01
     5   6     0.00   0.00   0.00    -0.02  -0.05  -0.01     0.01   0.04   0.01
     6   6    -0.00   0.00  -0.00    -0.01   0.03   0.01     0.01  -0.03   0.00
     7   6     0.00  -0.00   0.00    -0.02   0.00  -0.01     0.01  -0.00   0.01
     8   8     0.01  -0.00   0.00    -0.13   0.03   0.00     0.11  -0.02   0.00
     9  29    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    10   8    -0.01   0.00   0.00     0.18  -0.00   0.00    -0.18   0.01   0.00
    11   6     0.01  -0.01  -0.00    -0.30   0.04   0.00     0.28  -0.07  -0.01
    12   6    -0.00   0.00  -0.00     0.04  -0.02  -0.00    -0.03   0.04   0.00
    13   9     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    14   6     0.00  -0.03  -0.02     0.02  -0.01  -0.01    -0.02   0.00   0.01
    15   6    -0.05  -0.02  -0.01    -0.01  -0.01   0.01     0.00   0.00  -0.01
    16   6     0.01   0.01  -0.06     0.01  -0.00  -0.02    -0.01   0.00   0.02
    17   8     0.01  -0.00  -0.00     0.13  -0.03   0.00     0.11  -0.02  -0.00
    18   6    -0.01  -0.00   0.00    -0.22  -0.06   0.01    -0.18  -0.07   0.01
    19   6     0.00   0.00  -0.01     0.02   0.05  -0.01     0.01   0.04  -0.01
    20   6     0.00  -0.00  -0.00     0.02  -0.00  -0.01     0.01  -0.00  -0.01
    21   6     0.00  -0.00  -0.01    -0.01  -0.06   0.01    -0.01  -0.06   0.01
    22   6    -0.00   0.01  -0.00    -0.04   0.13  -0.01    -0.03   0.15  -0.02
    23   6     0.00  -0.00   0.00    -0.00   0.01  -0.01    -0.00   0.01  -0.01
    24   6    -0.00   0.00   0.00     0.01  -0.03   0.01     0.01  -0.03  -0.00
    25   6     0.02   0.01   0.06    -0.01   0.00  -0.02    -0.01   0.00  -0.02
    26   6    -0.06  -0.02   0.01     0.01   0.01   0.01     0.00   0.00   0.01
    27   6     0.00  -0.04   0.02    -0.02   0.01  -0.01    -0.02   0.00  -0.01
    28   6     0.02  -0.01   0.00     0.30  -0.04   0.00     0.28  -0.07   0.01
    29   6    -0.00   0.00   0.00    -0.04   0.02  -0.00    -0.03   0.04  -0.00
    30   9     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    31   8    -0.01   0.00  -0.00    -0.18   0.00   0.00    -0.18   0.01  -0.00
    32   9     0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    33   9    -0.00  -0.00   0.00    -0.00  -0.01   0.00    -0.00  -0.01   0.00
    34   9    -0.00  -0.00  -0.00     0.00   0.01   0.00    -0.00  -0.01  -0.00
    35   9     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    36   1     0.02  -0.02  -0.02    -0.14   0.12   0.05    -0.15   0.12   0.09
    37   1    -0.01  -0.03   0.01     0.06   0.18   0.01     0.08   0.20   0.03
    38   1     0.00   0.01  -0.02    -0.01  -0.02   0.08    -0.01  -0.01   0.08
    39   1    -0.02   0.01   0.00     0.06  -0.04  -0.00     0.06  -0.03  -0.00
    40   1     0.01  -0.00   0.03     0.25   0.11  -0.04     0.24   0.11  -0.03
    41   1     0.03  -0.01  -0.27     0.01  -0.05   0.10     0.02  -0.08   0.07
    42   1    -0.07  -0.18  -0.22     0.07   0.08   0.10     0.06   0.07   0.09
    43   1    -0.14   0.04  -0.24     0.03  -0.03   0.09    -0.01  -0.05   0.07
    44   1     0.21   0.05  -0.12    -0.06  -0.02   0.04    -0.07   0.01   0.03
    45   1     0.19   0.21  -0.02    -0.05  -0.01  -0.06    -0.05   0.01  -0.10
    46   1     0.28  -0.02   0.01    -0.01  -0.04  -0.05     0.03  -0.05  -0.06
    47   1     0.03   0.13  -0.09     0.07  -0.05   0.14     0.11  -0.01   0.15
    48   1    -0.10   0.12  -0.08     0.03  -0.05   0.04    -0.01   0.01   0.03
    49   1     0.02   0.16  -0.01     0.09  -0.12  -0.04     0.12  -0.12  -0.05
    50   1    -0.06  -0.17   0.20    -0.07  -0.08   0.10     0.06   0.07  -0.09
    51   1     0.03  -0.01   0.24    -0.01   0.05   0.10     0.02  -0.08  -0.07
    52   1    -0.12   0.03   0.22    -0.03   0.03   0.09    -0.01  -0.05  -0.07
    53   1     0.25  -0.01  -0.01     0.01   0.04  -0.05     0.03  -0.05   0.06
    54   1     0.17   0.19   0.02     0.05   0.01  -0.06    -0.05   0.01   0.10
    55   1     0.19   0.05   0.11     0.06   0.02   0.04    -0.07   0.01  -0.03
    56   1     0.00   0.01   0.02     0.01   0.02   0.07    -0.01  -0.01  -0.08
    57   1    -0.02   0.01  -0.00    -0.06   0.04  -0.00     0.06  -0.03   0.00
    58   1    -0.01  -0.03  -0.00    -0.06  -0.18   0.01     0.08   0.20  -0.03
    59   1     0.02  -0.01   0.02     0.14  -0.12   0.05    -0.15   0.12  -0.09
    60   1     0.01  -0.00  -0.03    -0.25  -0.11  -0.04     0.24   0.11   0.03
    61   1    -0.09   0.11   0.07    -0.03   0.05   0.04    -0.01   0.01  -0.03
    62   1     0.02   0.12   0.08    -0.07   0.05   0.14     0.11  -0.01  -0.15
    63   1     0.02   0.14   0.01    -0.09   0.12  -0.04     0.12  -0.12   0.05
                    136                    137                    138
                      A                      A                      A
 Frequencies --   1485.0771              1485.1138              1485.6781
 Red. masses --      1.0573                 1.0636                 1.0540
 Frc consts  --      1.3739                 1.3821                 1.3706
 IR Inten    --      0.8962                 8.4423                 8.6248
 RamAct Fr= 1--     10.8687                10.9190                 0.5365
  Dep-P Fr= 1--      0.7007                 0.7473                 0.7439
  Dep-U Fr= 1--      0.8240                 0.8554                 0.8531
 Alpha2 Fr= 1--      0.0093                 0.0005                 0.0001
 Beta2  Fr= 1--      1.4927                 1.5567                 0.0763
 AlphaG Fr= 1--     -0.0278                -0.0016                 0.0004
 Gamma2 Fr= 1--     -1.3544                 0.9853                 1.9833
 Delta2 Fr= 1--     -3.3125                 0.4039                 1.7548
 Raman1 Fr= 1--      43.475                 43.676                  2.146
 ROA1   Fr= 1--    -236.025                107.508                246.548
 CID1   Fr= 1--      -5.429                  2.461                114.882
 Raman2 Fr= 1--      17.912                 18.680                  0.915
 ROA2   Fr= 1--      -6.006                 20.415                 33.560
 CID2   Fr= 1--      -0.335                  1.093                 36.660
 Raman3 Fr= 1--      35.824                 37.361                  1.831
 ROA3   Fr= 1--    -236.025                107.508                246.548
 CID3   Fr= 1--      -6.588                  2.878                134.661
 RC180  Fr= 1--       0.648                  0.711                  0.706
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01   0.01     0.01  -0.01  -0.02     0.00  -0.00  -0.00
     2   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     3   6    -0.00   0.01   0.00     0.00  -0.01  -0.00    -0.00  -0.00   0.00
     4   6     0.00  -0.00  -0.00     0.00   0.01   0.00    -0.01   0.00   0.00
     5   6     0.00   0.00  -0.00    -0.00  -0.01   0.00    -0.00  -0.01   0.01
     6   6    -0.00   0.01  -0.01     0.00  -0.02   0.01    -0.00   0.02  -0.01
     7   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.01  -0.00   0.01
     8   8    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.01  -0.00   0.00
     9  29     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    10   8    -0.00   0.00  -0.00     0.01  -0.00  -0.00    -0.00  -0.00  -0.00
    11   6     0.01  -0.00  -0.00    -0.02   0.01   0.00     0.00   0.00   0.00
    12   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    13   9     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    14   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.01  -0.00   0.02
    15   6    -0.01   0.02   0.00     0.01  -0.03  -0.01    -0.00  -0.00   0.02
    16   6     0.01  -0.01  -0.00    -0.01   0.02   0.00    -0.02  -0.00  -0.01
    17   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    18   6     0.00   0.01  -0.00     0.00   0.01  -0.00    -0.01   0.00  -0.00
    19   6    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.01
    20   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01  -0.00  -0.01
    21   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    22   6     0.00  -0.01   0.00     0.00  -0.01   0.00    -0.00  -0.00  -0.00
    23   6     0.01  -0.01   0.02     0.01  -0.01   0.01     0.00  -0.00   0.00
    24   6     0.00  -0.02  -0.01     0.00  -0.01  -0.01    -0.00   0.01   0.01
    25   6    -0.01   0.02  -0.00    -0.01   0.01  -0.00    -0.02  -0.00   0.01
    26   6     0.01  -0.03   0.01     0.01  -0.02   0.00    -0.00  -0.00  -0.02
    27   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.01  -0.00  -0.02
    28   6    -0.01   0.01  -0.00    -0.01   0.01  -0.00     0.00   0.00  -0.00
    29   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    30   9    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    31   8     0.01  -0.00   0.00     0.01  -0.00   0.00    -0.00  -0.00   0.00
    32   9    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    33   9     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    34   9    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    35   9     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    36   1    -0.11   0.08   0.15    -0.07   0.05   0.09     0.06  -0.04  -0.07
    37   1     0.11   0.17   0.06     0.07   0.10   0.04    -0.06  -0.09  -0.03
    38   1     0.02   0.11  -0.16     0.01   0.07  -0.10     0.00  -0.00   0.00
    39   1    -0.19   0.02  -0.07    -0.12   0.01  -0.04    -0.00   0.00   0.00
    40   1    -0.01  -0.01  -0.00    -0.01  -0.01  -0.00     0.01   0.00   0.01
    41   1     0.12  -0.31   0.06     0.08  -0.19   0.04     0.00  -0.04   0.13
    42   1     0.24   0.05   0.06     0.16   0.03   0.03     0.20  -0.06  -0.06
    43   1    -0.18  -0.08  -0.10    -0.11  -0.05  -0.07     0.05   0.13  -0.12
    44   1    -0.17   0.36  -0.06    -0.10   0.23  -0.04     0.12   0.02  -0.07
    45   1    -0.17  -0.06  -0.23    -0.11  -0.04  -0.14     0.02  -0.09   0.19
    46   1     0.18   0.12   0.17     0.11   0.08   0.11    -0.09   0.12   0.13
    47   1     0.02   0.00   0.02     0.01   0.00   0.01     0.17   0.12   0.11
    48   1    -0.01   0.01  -0.03    -0.01   0.01  -0.02    -0.08   0.12   0.14
    49   1     0.04   0.01  -0.02     0.02   0.00  -0.01     0.06  -0.15  -0.02
    50   1    -0.15  -0.03   0.03     0.25   0.04  -0.05     0.27  -0.08   0.09
    51   1    -0.08   0.19   0.04     0.12  -0.31  -0.07    -0.00  -0.05  -0.18
    52   1     0.11   0.05  -0.06    -0.17  -0.07   0.11     0.07   0.17   0.16
    53   1    -0.11  -0.07   0.11     0.17   0.13  -0.18    -0.12   0.16  -0.18
    54   1     0.11   0.03  -0.14    -0.17  -0.06   0.22     0.03  -0.12  -0.26
    55   1     0.10  -0.23  -0.04    -0.16   0.37   0.07     0.16   0.03   0.09
    56   1    -0.01  -0.07  -0.10     0.02   0.11   0.16     0.00  -0.00  -0.01
    57   1     0.12  -0.01  -0.04    -0.19   0.02   0.07     0.00   0.00  -0.00
    58   1    -0.07  -0.11   0.04     0.11   0.16  -0.06    -0.08  -0.12   0.04
    59   1     0.07  -0.05   0.09    -0.11   0.08  -0.14     0.09  -0.06   0.10
    60   1     0.01   0.00  -0.00    -0.02  -0.01   0.00     0.01   0.00  -0.01
    61   1     0.01  -0.01  -0.02    -0.02   0.02   0.02    -0.11   0.16  -0.19
    62   1    -0.01  -0.00   0.02     0.02   0.01  -0.02     0.24   0.16  -0.15
    63   1    -0.03  -0.00  -0.01     0.04   0.00   0.02     0.08  -0.21   0.03
                    139                    140                    141
                      A                      A                      A
 Frequencies --   1485.7114              1493.5813              1493.6652
 Red. masses --      1.0533                 1.0485                 1.0484
 Frc consts  --      1.3698                 1.3781                 1.3782
 IR Inten    --      3.8464                 0.9334                 3.7073
 RamAct Fr= 1--      1.3848                10.2663                 5.3320
  Dep-P Fr= 1--      0.6833                 0.7500                 0.7480
  Dep-U Fr= 1--      0.8119                 0.8571                 0.8559
 Alpha2 Fr= 1--      0.0016                 0.0000                 0.0002
 Beta2  Fr= 1--      0.1874                 1.4666                 0.7606
 AlphaG Fr= 1--      0.0145                -0.0000                 0.0037
 Gamma2 Fr= 1--     -0.2783                12.2561               -12.0256
 Delta2 Fr= 1--     -0.0387                10.0661               -11.4544
 Raman1 Fr= 1--       5.539                 41.065                 21.328
 ROA1   Fr= 1--     -27.953               1498.705              -1520.997
 CID1   Fr= 1--      -5.046                 36.496                -71.314
 Raman2 Fr= 1--       2.249                 17.599                  9.127
 ROA2   Fr= 1--      -6.370                213.618               -196.979
 CID2   Fr= 1--      -2.833                 12.138                -21.582
 Raman3 Fr= 1--       4.497                 35.199                 18.254
 ROA3   Fr= 1--     -27.953               1498.705              -1520.997
 CID3   Fr= 1--      -6.216                 42.578                -83.324
 RC180  Fr= 1--       0.624                  0.714                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     2   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     3   6     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     4   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     5   6     0.00   0.01  -0.01     0.01  -0.01   0.01    -0.01   0.01  -0.01
     6   6     0.00  -0.01   0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
     7   6     0.01   0.00  -0.01     0.00   0.01  -0.00    -0.00  -0.01   0.00
     8   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     9  29     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    10   8     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    11   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    12   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    13   9    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    14   6     0.01   0.00  -0.02     0.02  -0.00   0.03    -0.02   0.00  -0.03
    15   6     0.00   0.00  -0.02    -0.00  -0.00  -0.01     0.00   0.00   0.01
    16   6     0.02   0.00   0.01     0.01   0.01   0.00    -0.01  -0.01  -0.00
    17   8     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    18   6    -0.01   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    19   6    -0.00  -0.01  -0.01     0.01  -0.01  -0.01     0.01  -0.01  -0.01
    20   6    -0.01  -0.00  -0.01     0.00   0.01   0.00     0.00   0.01   0.00
    21   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    22   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    23   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    24   6    -0.00   0.02   0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
    25   6    -0.02  -0.00   0.01     0.01   0.01  -0.00     0.01   0.01  -0.00
    26   6    -0.00  -0.01  -0.02    -0.00  -0.00   0.01    -0.00  -0.00   0.01
    27   6    -0.01  -0.00  -0.02     0.02  -0.00  -0.03     0.02  -0.00  -0.03
    28   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    29   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    30   9     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    31   8    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    32   9    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    33   9     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    34   9    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    35   9     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    36   1     0.08  -0.06  -0.09     0.01  -0.00  -0.02     0.01  -0.00  -0.02
    37   1    -0.08  -0.12  -0.04     0.00  -0.02   0.01     0.00  -0.02   0.01
    38   1     0.00   0.00  -0.00    -0.00  -0.01   0.02    -0.00  -0.01   0.02
    39   1    -0.01   0.00   0.00     0.02  -0.00   0.01     0.03  -0.00   0.01
    40   1     0.01  -0.00   0.01    -0.00  -0.00   0.01    -0.00  -0.00   0.01
    41   1     0.00  -0.06   0.18     0.05  -0.09  -0.12     0.05  -0.09  -0.11
    42   1     0.28  -0.08  -0.09    -0.10   0.07   0.08    -0.10   0.07   0.08
    43   1     0.06   0.17  -0.17    -0.13  -0.15   0.07    -0.12  -0.15   0.07
    44   1     0.16   0.04  -0.09    -0.02   0.00   0.01    -0.02  -0.00   0.01
    45   1     0.02  -0.12   0.25     0.01   0.04  -0.05     0.01   0.04  -0.06
    46   1    -0.11   0.16   0.19     0.04  -0.03  -0.04     0.04  -0.04  -0.04
    47   1     0.24   0.16   0.15     0.06   0.21  -0.12     0.06   0.21  -0.12
    48   1    -0.11   0.16   0.19    -0.01   0.06   0.43    -0.02   0.06   0.42
    49   1     0.08  -0.21  -0.03    -0.31  -0.20   0.13    -0.30  -0.20   0.12
    50   1    -0.21   0.06  -0.06    -0.10   0.07  -0.08     0.10  -0.07   0.08
    51   1    -0.00   0.04   0.13     0.05  -0.09   0.11    -0.05   0.09  -0.12
    52   1    -0.05  -0.13  -0.12    -0.12  -0.15  -0.06     0.13   0.15   0.07
    53   1     0.09  -0.12   0.14     0.04  -0.03   0.03    -0.04   0.04  -0.04
    54   1    -0.02   0.09   0.19     0.01   0.04   0.05    -0.01  -0.04  -0.06
    55   1    -0.12  -0.03  -0.07    -0.02   0.00  -0.01     0.02   0.00   0.01
    56   1    -0.00  -0.00   0.00    -0.00  -0.01  -0.02     0.00   0.01   0.02
    57   1     0.00  -0.00   0.00     0.02  -0.00  -0.01    -0.03   0.00   0.01
    58   1     0.06   0.09  -0.03     0.00  -0.02  -0.01    -0.00   0.02   0.01
    59   1    -0.06   0.04  -0.07     0.01  -0.00   0.02    -0.01   0.00  -0.02
    60   1    -0.00   0.00   0.01    -0.00  -0.00  -0.01     0.00   0.00   0.01
    61   1     0.08  -0.12   0.14    -0.01   0.06  -0.42     0.01  -0.06   0.43
    62   1    -0.17  -0.12   0.11     0.06   0.21   0.12    -0.06  -0.21  -0.12
    63   1    -0.05   0.15  -0.02    -0.31  -0.20  -0.12     0.31   0.20   0.13
                    142                    143                    144
                      A                      A                      A
 Frequencies --   1499.6388              1499.7784              1503.0989
 Red. masses --      1.0592                 1.0650                 1.0598
 Frc consts  --      1.4034                 1.4114                 1.4107
 IR Inten    --      0.1653                 4.9739                 0.1373
 RamAct Fr= 1--      0.5856                 1.3872                 4.3737
  Dep-P Fr= 1--      0.7498                 0.7500                 0.7339
  Dep-U Fr= 1--      0.8570                 0.8571                 0.8466
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0012
 Beta2  Fr= 1--      0.0836                 0.1982                 0.6171
 AlphaG Fr= 1--      0.0010                -0.0000                 0.0022
 Gamma2 Fr= 1--      0.0028                 3.1603                 2.0179
 Delta2 Fr= 1--     -0.1091                 0.0400                -0.2926
 Raman1 Fr= 1--       2.342                  5.549                 17.495
 ROA1   Fr= 1--      -3.224                304.670                184.358
 CID1   Fr= 1--      -1.376                 54.906                 10.538
 Raman2 Fr= 1--       1.004                  2.378                  7.405
 ROA2   Fr= 1--       0.939                 75.527                 50.771
 CID2   Fr= 1--       0.936                 31.759                  6.856
 Raman3 Fr= 1--       2.007                  4.756                 14.810
 ROA3   Fr= 1--      -3.224                304.670                184.358
 CID3   Fr= 1--      -1.606                 64.057                 12.448
 RC180  Fr= 1--       0.714                  0.714                  0.693
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01   0.02    -0.01   0.01   0.02    -0.01   0.01   0.01
     2   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     3   6     0.00  -0.01  -0.00     0.00  -0.01  -0.00    -0.00   0.00   0.00
     4   6     0.00   0.00  -0.00     0.00   0.01  -0.00    -0.00  -0.01  -0.00
     5   6    -0.01  -0.00  -0.00    -0.01  -0.00  -0.00     0.01   0.01  -0.01
     6   6    -0.00   0.02  -0.01    -0.00   0.02  -0.01    -0.00   0.01  -0.01
     7   6     0.00   0.01  -0.01     0.00   0.01  -0.01    -0.01   0.01   0.01
     8   8    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     9  29    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    10   8     0.00  -0.00   0.00     0.01  -0.00  -0.00    -0.01   0.00  -0.00
    11   6    -0.01   0.00   0.00    -0.01   0.00   0.00     0.01  -0.00   0.00
    12   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    13   9    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    14   6    -0.02  -0.00   0.00    -0.02  -0.00   0.00     0.02   0.00  -0.01
    15   6     0.00   0.00  -0.02     0.00   0.00  -0.02    -0.00   0.00   0.01
    16   6     0.00   0.01   0.01     0.00   0.02   0.01    -0.01   0.02  -0.00
    17   8     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    18   6    -0.00  -0.00  -0.00     0.00   0.01   0.00     0.01   0.01  -0.00
    19   6     0.01   0.00  -0.00    -0.01  -0.00   0.00    -0.02  -0.01  -0.01
    20   6    -0.00  -0.01  -0.01     0.00   0.01   0.01     0.01  -0.01   0.01
    21   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    22   6    -0.00   0.00  -0.00     0.00  -0.01   0.00     0.00  -0.01   0.00
    23   6     0.01  -0.01   0.02    -0.01   0.01  -0.02     0.01  -0.01   0.01
    24   6     0.00  -0.02  -0.01    -0.00   0.02   0.01     0.00  -0.01  -0.01
    25   6    -0.00  -0.01   0.01     0.00   0.02  -0.01     0.01  -0.02  -0.00
    26   6    -0.00  -0.00  -0.02     0.00   0.00   0.02     0.00  -0.00   0.01
    27   6     0.02   0.00   0.00    -0.02  -0.00  -0.00    -0.02  -0.00  -0.01
    28   6     0.01  -0.00   0.00    -0.01   0.00  -0.00    -0.01   0.00   0.00
    29   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    30   9     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    31   8    -0.00   0.00   0.00     0.01  -0.00   0.00     0.01  -0.00  -0.00
    32   9     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    33   9     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    34   9    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    35   9    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    36   1    -0.11   0.08   0.13     0.12  -0.09  -0.13    -0.08   0.06   0.13
    37   1     0.10   0.15   0.06    -0.11  -0.16  -0.06     0.08   0.14   0.04
    38   1     0.02   0.10  -0.16    -0.02  -0.11   0.16     0.01   0.08  -0.12
    39   1    -0.18   0.02  -0.06     0.19  -0.02   0.07    -0.13   0.02  -0.05
    40   1     0.01   0.00  -0.01    -0.01  -0.01   0.01    -0.01  -0.00  -0.01
    41   1    -0.08   0.18   0.03     0.08  -0.19  -0.03    -0.10   0.26  -0.06
    42   1    -0.04  -0.08  -0.09     0.04   0.08   0.10    -0.24  -0.03  -0.03
    43   1     0.14   0.13  -0.02    -0.15  -0.14   0.01     0.14   0.05   0.12
    44   1     0.12   0.02  -0.06    -0.12  -0.02   0.07    -0.07   0.02   0.02
    45   1     0.01  -0.09   0.17    -0.01   0.09  -0.17    -0.02   0.04  -0.11
    46   1    -0.07   0.11   0.13     0.07  -0.11  -0.13     0.07  -0.04  -0.05
    47   1    -0.16  -0.01  -0.19     0.15   0.01   0.19     0.24   0.11   0.21
    48   1     0.09  -0.10   0.09    -0.09   0.10  -0.09    -0.13   0.17   0.07
    49   1    -0.24   0.05   0.10     0.24  -0.04  -0.10     0.19  -0.16  -0.08
    50   1     0.04   0.08  -0.09     0.04   0.08  -0.09     0.22   0.02  -0.03
    51   1     0.08  -0.18   0.03     0.08  -0.18   0.03     0.10  -0.24  -0.06
    52   1    -0.14  -0.13  -0.02    -0.14  -0.13  -0.01    -0.13  -0.04   0.11
    53   1     0.07  -0.11   0.13     0.07  -0.11   0.13    -0.07   0.04  -0.04
    54   1    -0.01   0.09   0.18    -0.01   0.09   0.17     0.02  -0.03  -0.10
    55   1    -0.12  -0.02  -0.07    -0.12  -0.02  -0.06     0.06  -0.02   0.02
    56   1    -0.02  -0.11  -0.16    -0.02  -0.11  -0.16    -0.01  -0.08  -0.11
    57   1     0.18  -0.02  -0.06     0.18  -0.02  -0.06     0.13  -0.02  -0.04
    58   1    -0.11  -0.16   0.06    -0.11  -0.16   0.06    -0.07  -0.13   0.03
    59   1     0.12  -0.09   0.13     0.12  -0.09   0.13     0.08  -0.06   0.12
    60   1    -0.01  -0.00  -0.01    -0.01  -0.01  -0.01     0.01  -0.00  -0.01
    61   1    -0.09   0.10   0.09    -0.09   0.10   0.09     0.12  -0.16   0.06
    62   1     0.16   0.01  -0.19     0.15   0.01  -0.18    -0.23  -0.10   0.19
    63   1     0.24  -0.05   0.10     0.23  -0.04   0.10    -0.18   0.15  -0.07
                    145                    146                    147
                      A                      A                      A
 Frequencies --   1503.1834              1510.4488              1510.5032
 Red. masses --      1.0684                 1.0758                 1.0745
 Frc consts  --      1.4223                 1.4461                 1.4445
 IR Inten    --     15.6151                 0.6040                 0.2866
 RamAct Fr= 1--      3.1257                 5.8540                 6.9872
  Dep-P Fr= 1--      0.7500                 0.7305                 0.3600
  Dep-U Fr= 1--      0.8571                 0.8443                 0.5294
 Alpha2 Fr= 1--      0.0000                 0.0019                 0.0594
 Beta2  Fr= 1--      0.4465                 0.8238                 0.6165
 AlphaG Fr= 1--      0.0000                -0.0015                -0.0467
 Gamma2 Fr= 1--     -1.2328                 7.2828                -4.1354
 Delta2 Fr= 1--     -0.3222                 4.2645                -3.4740
 Raman1 Fr= 1--      12.503                 23.416                 27.949
 ROA1   Fr= 1--    -128.655                835.612               -508.164
 CID1   Fr= 1--     -10.290                 35.685                -18.182
 Raman2 Fr= 1--       5.358                  9.885                  7.398
 ROA2   Fr= 1--     -27.008                140.670                -71.457
 CID2   Fr= 1--      -5.041                 14.231                 -9.659
 Raman3 Fr= 1--      10.716                 19.770                 14.795
 ROA3   Fr= 1--    -128.655                835.612               -508.164
 CID3   Fr= 1--     -12.006                 42.266                -34.346
 RC180  Fr= 1--       0.714                  0.689                  0.059
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01  -0.01    -0.01   0.00   0.01     0.01  -0.00  -0.01
     2   6     0.00   0.01  -0.00     0.00   0.01   0.01    -0.00  -0.00  -0.00
     3   6     0.00  -0.01  -0.00     0.00  -0.01  -0.00    -0.00   0.01   0.00
     4   6     0.01   0.01   0.00     0.00   0.01   0.00    -0.00  -0.01  -0.00
     5   6    -0.02  -0.01   0.01     0.01  -0.01   0.01    -0.01   0.01  -0.00
     6   6     0.00  -0.01   0.01    -0.00  -0.01   0.01     0.00   0.01  -0.01
     7   6     0.01  -0.01  -0.01    -0.02  -0.00  -0.03     0.02   0.00   0.02
     8   8    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     9  29    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    10   8     0.01  -0.00  -0.00     0.01  -0.00  -0.00    -0.00   0.00   0.00
    11   6    -0.02   0.00   0.00    -0.01   0.00   0.00     0.01  -0.00  -0.00
    12   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    13   9    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    14   6    -0.02  -0.00   0.01     0.01  -0.00   0.00    -0.00   0.00  -0.00
    15   6     0.00  -0.00  -0.01     0.01   0.01  -0.02    -0.01  -0.01   0.01
    16   6     0.01  -0.02   0.00    -0.02  -0.01  -0.00     0.02   0.01   0.00
    17   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    18   6     0.01   0.01  -0.00     0.00   0.01  -0.00     0.00   0.01  -0.00
    19   6    -0.01  -0.01  -0.01     0.01  -0.01  -0.00     0.01  -0.01  -0.01
    20   6     0.01  -0.01   0.01    -0.02  -0.00   0.02    -0.02  -0.00   0.03
    21   6     0.00   0.00   0.00     0.00   0.01  -0.00     0.00   0.01  -0.01
    22   6     0.00  -0.01   0.00     0.00  -0.01   0.00     0.00  -0.01   0.00
    23   6     0.01  -0.01   0.01    -0.01   0.00  -0.01    -0.01   0.00  -0.01
    24   6     0.00  -0.01  -0.01    -0.00  -0.01  -0.01    -0.00  -0.01  -0.01
    25   6     0.01  -0.02  -0.00    -0.02  -0.01   0.00    -0.02  -0.01   0.00
    26   6     0.00  -0.00   0.01     0.01   0.01   0.01     0.01   0.01   0.02
    27   6    -0.02  -0.00  -0.01     0.00  -0.00  -0.00     0.01  -0.00  -0.00
    28   6    -0.01   0.00  -0.00    -0.01   0.00  -0.00    -0.01   0.00  -0.00
    29   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    30   9    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    31   8     0.01  -0.00   0.00     0.00  -0.00   0.00     0.01  -0.00   0.00
    32   9    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    33   9     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    34   9     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    35   9    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    36   1    -0.07   0.05   0.12    -0.06   0.04   0.08    -0.08   0.05   0.11
    37   1     0.07   0.12   0.03     0.06   0.08   0.04     0.09   0.12   0.05
    38   1     0.01   0.07  -0.11    -0.01  -0.05   0.08    -0.02  -0.07   0.12
    39   1    -0.13   0.02  -0.04     0.09  -0.00   0.04     0.13  -0.00   0.05
    40   1    -0.01  -0.00  -0.01    -0.02  -0.01   0.02    -0.03  -0.02   0.02
    41   1    -0.09   0.24  -0.06    -0.03   0.02   0.17    -0.04   0.03   0.25
    42   1    -0.22  -0.02  -0.03     0.20  -0.09  -0.11     0.29  -0.13  -0.15
    43   1     0.13   0.04   0.11     0.10   0.17  -0.14     0.15   0.25  -0.21
    44   1    -0.07   0.02   0.02    -0.10  -0.08   0.08    -0.15  -0.12   0.12
    45   1    -0.02   0.04  -0.11     0.03   0.11  -0.15     0.04   0.16  -0.22
    46   1     0.07  -0.04  -0.04     0.07  -0.13  -0.16     0.10  -0.19  -0.24
    47   1     0.23   0.10   0.20    -0.01   0.05  -0.05    -0.01   0.07  -0.08
    48   1    -0.12   0.16   0.06    -0.00   0.01   0.07    -0.01   0.02   0.10
    49   1     0.18  -0.15  -0.07    -0.08  -0.01   0.03    -0.11  -0.01   0.04
    50   1    -0.24  -0.02   0.03     0.29  -0.13   0.15    -0.20   0.09  -0.11
    51   1    -0.10   0.26   0.07    -0.04   0.03  -0.25     0.03  -0.02   0.18
    52   1     0.14   0.04  -0.12     0.15   0.25   0.21    -0.10  -0.18  -0.14
    53   1     0.08  -0.05   0.05     0.10  -0.19   0.24    -0.07   0.13  -0.16
    54   1    -0.02   0.04   0.11     0.04   0.16   0.22    -0.02  -0.11  -0.15
    55   1    -0.07   0.02  -0.02    -0.15  -0.12  -0.12     0.10   0.08   0.08
    56   1     0.01   0.08   0.12    -0.02  -0.07  -0.11     0.01   0.05   0.08
    57   1    -0.13   0.02   0.05     0.13  -0.00  -0.05    -0.09   0.00   0.04
    58   1     0.07   0.13  -0.03     0.09   0.12  -0.05    -0.06  -0.08   0.04
    59   1    -0.08   0.06  -0.13    -0.08   0.06  -0.12     0.05  -0.04   0.08
    60   1    -0.01  -0.00   0.01    -0.03  -0.02  -0.02     0.02   0.01   0.02
    61   1    -0.13   0.17  -0.07    -0.01   0.02  -0.10     0.00  -0.01   0.07
    62   1     0.24   0.11  -0.21    -0.01   0.07   0.08     0.01  -0.05  -0.05
    63   1     0.19  -0.16   0.08    -0.11  -0.01  -0.05     0.08   0.00   0.03
                    148                    149                    150
                      A                      A                      A
 Frequencies --   1519.0853              1519.1198              1524.7315
 Red. masses --      1.0886                 1.0842                 1.0869
 Frc consts  --      1.4801                 1.4742                 1.4888
 IR Inten    --      0.7083                 5.4508                 9.4928
 RamAct Fr= 1--      7.8429                 2.9000                10.1940
  Dep-P Fr= 1--      0.7484                 0.6394                 0.7499
  Dep-U Fr= 1--      0.8561                 0.7800                 0.8571
 Alpha2 Fr= 1--      0.0002                 0.0058                 0.0000
 Beta2  Fr= 1--      1.1191                 0.3770                 1.4562
 AlphaG Fr= 1--      0.0015                 0.0412                 0.0001
 Gamma2 Fr= 1--     -8.0659                 0.9796                -0.8166
 Delta2 Fr= 1--     -3.0382                -0.0661                 1.2201
 Raman1 Fr= 1--      31.372                 11.600                 40.776
 ROA1   Fr= 1--    -871.552                 91.926                -39.348
 CID1   Fr= 1--     -27.781                  7.925                 -0.965
 Raman2 Fr= 1--      13.429                  4.524                 17.474
 ROA2   Fr= 1--    -169.277                 24.039                -29.359
 CID2   Fr= 1--     -12.605                  5.313                 -1.680
 Raman3 Fr= 1--      26.858                  9.048                 34.948
 ROA3   Fr= 1--    -871.552                 91.926                -39.348
 CID3   Fr= 1--     -32.450                 10.159                 -1.126
 RC180  Fr= 1--       0.712                  0.560                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.03   0.02   0.04
     2   6    -0.00  -0.00   0.00    -0.01  -0.00   0.00    -0.00   0.01   0.00
     3   6     0.00   0.02   0.00     0.00   0.02   0.00     0.00  -0.01  -0.00
     4   6     0.00  -0.01  -0.00     0.00  -0.02  -0.00     0.00   0.01   0.00
     5   6     0.00   0.01   0.00     0.00   0.02   0.00    -0.00  -0.00  -0.00
     6   6    -0.00   0.02  -0.02    -0.00   0.03  -0.02    -0.00  -0.02   0.02
     7   6     0.00  -0.02  -0.01     0.00  -0.03  -0.01     0.01  -0.01   0.00
     8   8    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     9  29     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    10   8    -0.01   0.00   0.00    -0.01   0.00   0.00     0.00  -0.00  -0.00
    11   6     0.01  -0.01  -0.00     0.01  -0.01  -0.00    -0.01   0.01   0.00
    12   6    -0.00   0.00   0.00    -0.00   0.01   0.00     0.00  -0.00   0.00
    13   9     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    14   6     0.01  -0.00  -0.00     0.01   0.00  -0.00    -0.00   0.00   0.00
    15   6     0.01  -0.01  -0.01     0.02  -0.02  -0.01    -0.01  -0.02   0.01
    16   6    -0.00  -0.01  -0.00    -0.00  -0.02  -0.00     0.01  -0.00  -0.00
    17   8    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    18   6     0.00  -0.02   0.00     0.00   0.01  -0.00     0.00   0.01  -0.00
    19   6     0.00   0.02  -0.00    -0.00  -0.01   0.00    -0.00  -0.00   0.00
    20   6     0.00  -0.03   0.01    -0.00   0.02  -0.01     0.01  -0.01  -0.00
    21   6    -0.01  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.01  -0.00
    22   6     0.00   0.02  -0.00    -0.00  -0.01   0.00     0.00  -0.01   0.00
    23   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.02   0.02  -0.03
    24   6    -0.00   0.03   0.02     0.00  -0.02  -0.02    -0.00  -0.02  -0.02
    25   6    -0.00  -0.02   0.00     0.00   0.01  -0.00     0.01  -0.00   0.00
    26   6     0.02  -0.02   0.01    -0.01   0.01  -0.01    -0.01  -0.02  -0.01
    27   6     0.01   0.00   0.00    -0.01  -0.00  -0.00    -0.00   0.00  -0.00
    28   6     0.01  -0.01   0.00    -0.01   0.01  -0.00    -0.01   0.01  -0.00
    29   6    -0.00   0.01  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    30   9     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    31   8    -0.01   0.00  -0.00     0.01  -0.00   0.00     0.00  -0.00   0.00
    32   9     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    33   9    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    34   9    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    35   9     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    36   1     0.18  -0.12  -0.25    -0.12   0.08   0.17    -0.09   0.06   0.12
    37   1    -0.17  -0.26  -0.09     0.12   0.18   0.06     0.09   0.14   0.05
    38   1     0.00   0.01   0.00    -0.00  -0.01   0.00    -0.04  -0.20   0.31
    39   1    -0.01  -0.00  -0.00     0.01   0.00   0.00     0.34  -0.03   0.13
    40   1     0.03   0.02  -0.00    -0.02  -0.01   0.00    -0.02   0.00  -0.01
    41   1    -0.10   0.22   0.04     0.07  -0.15  -0.03    -0.03   0.08  -0.05
    42   1    -0.08  -0.08  -0.10     0.05   0.05   0.07    -0.09  -0.01  -0.01
    43   1     0.18   0.14   0.02    -0.12  -0.09  -0.02     0.03  -0.00   0.04
    44   1    -0.22   0.31  -0.02     0.15  -0.21   0.01     0.04   0.20  -0.10
    45   1    -0.19  -0.05  -0.26     0.13   0.03   0.18    -0.06  -0.07   0.03
    46   1     0.18   0.07   0.11    -0.12  -0.05  -0.07     0.05   0.14   0.18
    47   1    -0.06  -0.01  -0.07     0.04   0.01   0.05     0.01   0.00   0.01
    48   1     0.04  -0.05   0.04    -0.03   0.03  -0.03    -0.00   0.01   0.00
    49   1    -0.09   0.01   0.04     0.06  -0.01  -0.03     0.01  -0.00  -0.00
    50   1    -0.05  -0.05   0.07    -0.08  -0.08   0.10    -0.10  -0.01   0.01
    51   1    -0.07   0.15  -0.03    -0.10   0.22  -0.04    -0.03   0.08   0.05
    52   1     0.12   0.10  -0.01     0.18   0.14  -0.02     0.03  -0.00  -0.04
    53   1     0.12   0.05  -0.07     0.18   0.07  -0.11     0.06   0.15  -0.19
    54   1    -0.13  -0.03   0.18    -0.19  -0.05   0.26    -0.06  -0.08  -0.03
    55   1    -0.15   0.21   0.01    -0.21   0.31   0.02     0.05   0.21   0.10
    56   1     0.00   0.01  -0.00     0.00   0.01   0.00    -0.04  -0.21  -0.33
    57   1    -0.01  -0.00   0.00    -0.01  -0.00   0.00     0.36  -0.03  -0.14
    58   1    -0.12  -0.18   0.06    -0.17  -0.27   0.09     0.10   0.15  -0.05
    59   1     0.12  -0.08   0.17     0.18  -0.12   0.25    -0.10   0.07  -0.13
    60   1     0.02   0.01   0.00     0.03   0.02   0.00    -0.02   0.00   0.01
    61   1     0.03  -0.03  -0.03     0.04  -0.05  -0.04    -0.00   0.01  -0.00
    62   1    -0.04  -0.01   0.05    -0.06  -0.01   0.07     0.01   0.00  -0.01
    63   1    -0.06   0.01  -0.03    -0.09   0.01  -0.04     0.01  -0.00   0.00
                    151                    152                    153
                      A                      A                      A
 Frequencies --   1524.7616              1547.7039              1559.6371
 Red. masses --      1.0857                 8.8775                 9.1090
 Frc consts  --      1.4872                12.5289                13.0547
 IR Inten    --     11.5930                10.6229               466.0002
 RamAct Fr= 1--      1.8630               224.5337                 3.9775
  Dep-P Fr= 1--      0.3746                 0.3157                 0.7499
  Dep-U Fr= 1--      0.5451                 0.4799                 0.8571
 Alpha2 Fr= 1--      0.0151                 2.1959                 0.0000
 Beta2  Fr= 1--      0.1692                17.9595                 0.5681
 AlphaG Fr= 1--      0.0647                -2.7245                -0.0000
 Gamma2 Fr= 1--      2.0157                27.7903               -53.5159
 Delta2 Fr= 1--      1.6188                53.0137               -42.7895
 Raman1 Fr= 1--       7.452                898.135                 15.910
 ROA1   Fr= 1--     245.312               4364.313              -6506.791
 CID1   Fr= 1--      32.918                  4.859               -408.979
 Raman2 Fr= 1--       2.031                215.514                  6.818
 ROA2   Fr= 1--      35.426                242.859               -942.066
 CID2   Fr= 1--      17.444                  1.127               -138.178
 Raman3 Fr= 1--       4.062                431.028                 13.636
 ROA3   Fr= 1--     245.312               4364.313              -6506.791
 CID3   Fr= 1--      60.394                 10.125               -477.192
 RC180  Fr= 1--       0.090                 -0.040                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.02  -0.03     0.00   0.00  -0.01    -0.00  -0.00   0.01
     2   6     0.00  -0.01  -0.00     0.06   0.05   0.01    -0.06  -0.04  -0.00
     3   6    -0.00   0.01   0.00    -0.14  -0.36  -0.05     0.14   0.35   0.05
     4   6    -0.00  -0.01  -0.00    -0.21   0.18   0.02     0.25  -0.18  -0.02
     5   6     0.00   0.00   0.00     0.02  -0.01  -0.01    -0.02   0.00   0.01
     6   6     0.00   0.02  -0.02     0.00   0.02  -0.01    -0.00  -0.01   0.01
     7   6    -0.01   0.01  -0.00     0.04   0.02   0.00    -0.04  -0.02  -0.00
     8   8     0.00   0.00   0.00     0.10  -0.05  -0.00    -0.13   0.06   0.00
     9  29    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.01  -0.00
    10   8    -0.00   0.00   0.00     0.04  -0.03  -0.00     0.00   0.03   0.00
    11   6     0.01  -0.01  -0.00     0.07   0.28   0.04    -0.13  -0.27  -0.04
    12   6    -0.00   0.00  -0.00     0.02  -0.10  -0.01    -0.02   0.09   0.01
    13   9     0.00  -0.00   0.00    -0.01   0.01  -0.01     0.01  -0.01   0.01
    14   6     0.00  -0.00  -0.00    -0.00   0.01   0.00     0.00  -0.01  -0.00
    15   6     0.01   0.02  -0.01    -0.01  -0.01  -0.00     0.01   0.01   0.00
    16   6    -0.01   0.00   0.00     0.00  -0.01   0.00    -0.00   0.01  -0.00
    17   8    -0.00  -0.00   0.00    -0.10   0.05  -0.00    -0.13   0.05  -0.00
    18   6     0.00   0.01  -0.00     0.21  -0.18   0.02     0.25  -0.18   0.02
    19   6    -0.00  -0.00   0.00    -0.02   0.01  -0.01    -0.02   0.00  -0.01
    20   6     0.01  -0.01  -0.00    -0.04  -0.02   0.00    -0.04  -0.02   0.00
    21   6    -0.00   0.01  -0.00    -0.06  -0.05   0.01    -0.06  -0.04   0.00
    22   6     0.00  -0.01   0.00     0.14   0.36  -0.05     0.14   0.35  -0.05
    23   6    -0.03   0.02  -0.04    -0.00  -0.00  -0.01    -0.00  -0.00  -0.01
    24   6    -0.00  -0.02  -0.02    -0.00  -0.02  -0.01    -0.00  -0.01  -0.01
    25   6     0.01  -0.00   0.00    -0.00   0.01   0.00    -0.00   0.01   0.00
    26   6    -0.01  -0.02  -0.01     0.01   0.01  -0.00     0.01   0.01  -0.00
    27   6    -0.00   0.00  -0.00     0.00  -0.01   0.00     0.00  -0.01   0.00
    28   6    -0.01   0.01  -0.00    -0.07  -0.28   0.04    -0.13  -0.27   0.04
    29   6     0.00  -0.00  -0.00    -0.02   0.10  -0.01    -0.02   0.09  -0.01
    30   9    -0.00   0.00   0.00     0.01  -0.01  -0.01     0.01  -0.01  -0.01
    31   8     0.00  -0.00   0.00    -0.04   0.03  -0.00     0.00   0.03  -0.00
    32   9    -0.00   0.00  -0.00     0.01  -0.01   0.01     0.01  -0.01   0.01
    33   9     0.00   0.00  -0.00    -0.01  -0.01   0.00    -0.00  -0.01   0.00
    34   9    -0.00  -0.00  -0.00     0.01   0.01   0.00    -0.00  -0.01  -0.00
    35   9     0.00  -0.00  -0.00    -0.01   0.01   0.01     0.01  -0.01  -0.01
    36   1    -0.10   0.07   0.13    -0.10   0.07   0.07    -0.09   0.06   0.08
    37   1     0.10   0.15   0.05     0.08   0.11   0.06     0.08   0.10   0.06
    38   1    -0.04  -0.21   0.33    -0.01   0.01   0.06    -0.01   0.01   0.06
    39   1     0.36  -0.03   0.14     0.04  -0.02   0.01     0.03  -0.01   0.01
    40   1    -0.02   0.00  -0.01     0.20   0.13   0.01     0.17   0.11   0.01
    41   1    -0.03   0.08  -0.05     0.04  -0.08   0.07     0.04  -0.08   0.06
    42   1    -0.10  -0.01  -0.01     0.07   0.00   0.00     0.06   0.00   0.00
    43   1     0.03  -0.00   0.04    -0.04  -0.02  -0.03    -0.05  -0.02  -0.03
    44   1     0.05   0.21  -0.10     0.03  -0.02   0.00     0.02  -0.02   0.00
    45   1    -0.06  -0.08   0.03     0.00  -0.02   0.04     0.01  -0.01   0.03
    46   1     0.05   0.15   0.19    -0.02   0.01   0.00    -0.02   0.00  -0.01
    47   1     0.01   0.00   0.01     0.06   0.03   0.04     0.08   0.04   0.05
    48   1    -0.00   0.01   0.00    -0.05   0.07  -0.03    -0.06   0.09  -0.03
    49   1     0.01  -0.00  -0.00     0.07  -0.00  -0.02     0.08  -0.01  -0.03
    50   1     0.09   0.01  -0.01    -0.07  -0.00   0.00     0.06   0.00  -0.00
    51   1     0.03  -0.08  -0.05    -0.04   0.08   0.07     0.04  -0.08  -0.06
    52   1    -0.03   0.00   0.04     0.04   0.02  -0.03    -0.05  -0.02   0.03
    53   1    -0.05  -0.14   0.18     0.02  -0.01   0.00    -0.02   0.00   0.01
    54   1     0.06   0.08   0.03    -0.00   0.02   0.04     0.01  -0.01  -0.03
    55   1    -0.04  -0.20  -0.10    -0.03   0.02   0.00     0.02  -0.02  -0.00
    56   1     0.04   0.20   0.31     0.01  -0.01   0.06    -0.01   0.01  -0.06
    57   1    -0.34   0.03   0.13    -0.04   0.02   0.01     0.03  -0.01  -0.01
    58   1    -0.09  -0.14   0.05    -0.08  -0.10   0.06     0.08   0.10  -0.06
    59   1     0.09  -0.07   0.12     0.10  -0.07   0.07    -0.09   0.06  -0.08
    60   1     0.02  -0.00  -0.01    -0.20  -0.13   0.01     0.17   0.11  -0.01
    61   1     0.00  -0.01   0.00     0.05  -0.07  -0.03    -0.06   0.09   0.03
    62   1    -0.01  -0.00   0.01    -0.06  -0.03   0.04     0.08   0.04  -0.05
    63   1    -0.01   0.00  -0.00    -0.07   0.00  -0.02     0.08  -0.01   0.03
                    154                    155                    156
                      A                      A                      A
 Frequencies --   1667.5869              1681.9102              3035.8874
 Red. masses --     11.9413                12.0763                 1.0378
 Frc consts  --     19.5650                20.1275                 5.6357
 IR Inten    --   1288.7588                 0.1615                14.1042
 RamAct Fr= 1--      0.4238               135.6509                 3.4935
  Dep-P Fr= 1--      0.7500                 0.2167                 0.3805
  Dep-U Fr= 1--      0.8571                 0.3562                 0.5512
 Alpha2 Fr= 1--      0.0000                 1.7616                 0.0277
 Beta2  Fr= 1--      0.0605                 8.0539                 0.3210
 AlphaG Fr= 1--     -0.0000                 4.7444                -0.0383
 Gamma2 Fr= 1--     -1.2307                28.8577                -4.6760
 Delta2 Fr= 1--     -3.3312                -1.6820                -1.1826
 Raman1 Fr= 1--       1.695                542.604                 13.974
 ROA1   Fr= 1--    -224.742               2716.515               -486.736
 CID1   Fr= 1--    -132.576                  5.006                -34.831
 Raman2 Fr= 1--       0.727                 96.646                  3.852
 ROA2   Fr= 1--      -2.886                706.040               -102.762
 CID2   Fr= 1--      -3.973                  7.305                -26.681
 Raman3 Fr= 1--       1.453                193.293                  7.703
 ROA3   Fr= 1--    -224.742               2716.515               -486.736
 CID3   Fr= 1--    -154.673                 14.054                -63.187
 RC180  Fr= 1--       0.714                 -0.288                  0.102
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00  -0.01    -0.01  -0.00   0.01    -0.00   0.00   0.00
     2   6     0.02   0.02   0.00    -0.02  -0.02  -0.00     0.00  -0.00   0.00
     3   6    -0.23  -0.13  -0.02     0.22   0.13   0.02     0.00   0.00   0.00
     4   6     0.41  -0.14  -0.00    -0.40   0.14   0.00     0.00  -0.00   0.00
     5   6    -0.03   0.02  -0.00     0.03  -0.02  -0.00     0.00  -0.00  -0.00
     6   6    -0.01  -0.00   0.01     0.01   0.00  -0.01    -0.00  -0.00   0.00
     7   6    -0.01   0.00  -0.00     0.01  -0.00   0.00    -0.00  -0.00   0.00
     8   8    -0.23   0.06   0.00     0.23  -0.06  -0.00    -0.00   0.00   0.00
     9  29    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    10   8    -0.13  -0.01  -0.00     0.15   0.00   0.00     0.00  -0.00  -0.00
    11   6     0.33   0.18   0.03    -0.34  -0.18  -0.03    -0.00  -0.00   0.00
    12   6    -0.02  -0.02  -0.00     0.01   0.03   0.00     0.00   0.00  -0.00
    13   9     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    14   6     0.01  -0.01  -0.00    -0.01   0.01   0.00    -0.00   0.00   0.00
    15   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.01   0.00   0.01
    16   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.02
    17   8    -0.23   0.06  -0.00    -0.23   0.06  -0.00    -0.00   0.00  -0.00
    18   6     0.41  -0.14   0.00     0.40  -0.14   0.00     0.00  -0.00  -0.00
    19   6    -0.03   0.02   0.00    -0.03   0.02  -0.00     0.00  -0.00   0.00
    20   6    -0.01   0.00   0.00    -0.01   0.00   0.00    -0.00  -0.00  -0.00
    21   6     0.02   0.02  -0.00     0.02   0.02  -0.00     0.00  -0.00  -0.00
    22   6    -0.23  -0.13   0.02    -0.22  -0.13   0.02     0.00   0.00  -0.00
    23   6     0.01   0.00   0.01     0.01   0.00   0.01    -0.00   0.00  -0.00
    24   6    -0.00  -0.00  -0.01    -0.01  -0.00  -0.01    -0.00  -0.00  -0.00
    25   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.01   0.04
    26   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.02   0.00  -0.01
    27   6     0.01  -0.01   0.00     0.01  -0.01   0.00    -0.00   0.00  -0.00
    28   6     0.33   0.18  -0.03     0.34   0.18  -0.03    -0.00  -0.00  -0.00
    29   6    -0.02  -0.02   0.00    -0.01  -0.03   0.00     0.00  -0.00   0.00
    30   9     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    31   8    -0.13  -0.01   0.00    -0.15  -0.00   0.00     0.00  -0.00   0.00
    32   9    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    33   9    -0.00  -0.01   0.00    -0.00  -0.01   0.00     0.00   0.00  -0.00
    34   9    -0.00  -0.01  -0.00     0.00   0.01   0.00    -0.00  -0.00   0.00
    35   9    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    36   1    -0.00  -0.01   0.06    -0.01  -0.01   0.05     0.01   0.01   0.00
    37   1     0.03   0.02   0.01     0.03   0.02   0.01    -0.01   0.00   0.01
    38   1     0.00   0.02   0.00     0.01   0.01   0.00     0.01   0.00   0.00
    39   1    -0.02  -0.01  -0.02    -0.01  -0.01  -0.01    -0.00  -0.00   0.00
    40   1    -0.03  -0.01   0.01    -0.03  -0.01   0.00    -0.00   0.00   0.00
    41   1     0.01  -0.03   0.04     0.01  -0.02   0.03    -0.29  -0.12   0.00
    42   1     0.04  -0.00   0.00     0.03  -0.00   0.00     0.01   0.37  -0.26
    43   1    -0.01   0.01  -0.02    -0.01   0.00  -0.02     0.30  -0.33  -0.17
    44   1    -0.00  -0.01   0.00    -0.00  -0.01   0.00    -0.05  -0.05  -0.16
    45   1     0.01   0.01  -0.00     0.01   0.01  -0.00    -0.23   0.26   0.13
    46   1     0.01  -0.00  -0.01     0.01  -0.00  -0.00     0.00  -0.25   0.20
    47   1     0.04   0.01   0.01     0.04   0.01   0.02     0.01  -0.01  -0.01
    48   1    -0.06   0.08  -0.05    -0.05   0.08  -0.04    -0.01  -0.00  -0.00
    49   1     0.04   0.02  -0.01     0.04   0.02  -0.01     0.01   0.00   0.03
    50   1     0.04  -0.00  -0.00    -0.03   0.00   0.00     0.01   0.18   0.13
    51   1     0.01  -0.03  -0.04    -0.01   0.02   0.03    -0.14  -0.06  -0.00
    52   1    -0.01   0.01   0.02     0.01  -0.00  -0.02     0.14  -0.16   0.08
    53   1     0.01  -0.00   0.01    -0.01   0.00  -0.00     0.00  -0.12  -0.10
    54   1     0.01   0.01   0.00    -0.01  -0.01  -0.00    -0.11   0.13  -0.06
    55   1    -0.00  -0.01  -0.00     0.00   0.01   0.00    -0.03  -0.03   0.08
    56   1     0.00   0.02  -0.00    -0.01  -0.01   0.00     0.00   0.00  -0.00
    57   1    -0.02  -0.01   0.02     0.01   0.01  -0.01    -0.00  -0.00  -0.00
    58   1     0.03   0.02  -0.01    -0.03  -0.02   0.01    -0.00   0.00  -0.00
    59   1    -0.00  -0.01  -0.06     0.01   0.01   0.05     0.00   0.00  -0.00
    60   1    -0.03  -0.01  -0.01     0.03   0.01   0.00    -0.00   0.00  -0.00
    61   1    -0.06   0.08   0.05     0.05  -0.08  -0.04    -0.00  -0.00   0.00
    62   1     0.04   0.01  -0.01    -0.04  -0.01   0.02     0.01  -0.00   0.01
    63   1     0.04   0.02   0.01    -0.04  -0.02  -0.01     0.01   0.00  -0.02
                    157                    158                    159
                      A                      A                      A
 Frequencies --   3035.9072              3040.5098              3040.5492
 Red. masses --      1.0378                 1.0372                 1.0373
 Frc consts  --      5.6358                 5.6497                 5.6502
 IR Inten    --     12.0237                16.6833                16.5885
 RamAct Fr= 1--     18.7665                30.8365                33.8600
  Dep-P Fr= 1--      0.2401                 0.3976                 0.3542
  Dep-U Fr= 1--      0.3872                 0.5690                 0.5231
 Alpha2 Fr= 1--      0.2286                 0.2303                 0.2933
 Beta2  Fr= 1--      1.2111                 2.9244                 2.9519
 AlphaG Fr= 1--     -0.3125                -0.1813                -0.2178
 Gamma2 Fr= 1--     -0.4820               -11.4600               -12.8575
 Delta2 Fr= 1--     -0.5593                -9.3055                -9.6970
 Raman1 Fr= 1--      75.066                123.346                135.440
 ROA1   Fr= 1--     -64.168              -1397.940              -1544.623
 CID1   Fr= 1--      -0.855                -11.333                -11.404
 Raman2 Fr= 1--      14.533                 35.093                 35.423
 ROA2   Fr= 1--      -7.094               -200.597               -231.004
 CID2   Fr= 1--      -0.488                 -5.716                 -6.521
 Raman3 Fr= 1--      29.066                 70.186                 70.845
 ROA3   Fr= 1--     -64.168              -1397.940              -1544.623
 CID3   Fr= 1--      -2.208                -19.918                -21.803
 RC180  Fr= 1--      -0.226                  0.138                  0.046
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     2   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     3   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     4   6     0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     5   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     6   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     7   6    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     8   8    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     9  29     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    10   8     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    11   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    12   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    13   9     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    14   6    -0.00   0.00   0.00     0.00  -0.03  -0.01     0.00  -0.00  -0.00
    15   6     0.02   0.00   0.01     0.03   0.01   0.02     0.00   0.00   0.00
    16   6    -0.00   0.01  -0.04    -0.00  -0.00   0.02    -0.00  -0.00   0.00
    17   8     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    18   6    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    19   6    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    20   6     0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    21   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    22   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    23   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    24   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    25   6     0.00  -0.00  -0.02     0.00  -0.00  -0.00     0.00   0.00   0.02
    26   6    -0.01  -0.00   0.01     0.00   0.00  -0.00    -0.03  -0.01   0.02
    27   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.03  -0.01
    28   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    29   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    30   9    -0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    31   8    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    32   9     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    33   9    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    34   9     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    35   9    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    36   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.01   0.01  -0.00
    37   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.01   0.00   0.01
    38   1    -0.01  -0.00  -0.00     0.00   0.00   0.00    -0.02  -0.00  -0.00
    39   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.01   0.01  -0.01
    40   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.01   0.00
    41   1     0.14   0.06  -0.00     0.00   0.00   0.00    -0.16  -0.07  -0.00
    42   1    -0.01  -0.18   0.13    -0.00  -0.00   0.00     0.01   0.21  -0.15
    43   1    -0.14   0.16   0.08    -0.00   0.00   0.00     0.16  -0.17  -0.09
    44   1     0.03   0.03   0.08    -0.00  -0.00  -0.00     0.07   0.06   0.18
    45   1     0.11  -0.13  -0.06    -0.00   0.01   0.00     0.26  -0.30  -0.15
    46   1    -0.00   0.12  -0.10     0.00  -0.01   0.00    -0.00   0.29  -0.24
    47   1    -0.01   0.00   0.01    -0.00   0.00   0.00     0.25  -0.16  -0.21
    48   1     0.00   0.00   0.00     0.00   0.00  -0.00    -0.36  -0.25   0.01
    49   1    -0.01  -0.00  -0.02    -0.00  -0.00  -0.00     0.15   0.04   0.37
    50   1     0.01   0.37   0.26    -0.01  -0.20  -0.14    -0.00  -0.00  -0.00
    51   1    -0.29  -0.12  -0.00     0.16   0.07  -0.00     0.00   0.00   0.00
    52   1     0.30  -0.33   0.17    -0.15   0.17  -0.09    -0.00   0.00  -0.00
    53   1     0.00  -0.25  -0.20     0.00  -0.29  -0.23     0.00  -0.00  -0.00
    54   1    -0.23   0.26  -0.13    -0.25   0.29  -0.15    -0.00   0.00  -0.00
    55   1    -0.05  -0.05   0.16    -0.06  -0.06   0.18    -0.00  -0.00   0.00
    56   1     0.01   0.00  -0.00     0.02   0.00  -0.00     0.00   0.00  -0.00
    57   1    -0.00  -0.00  -0.00    -0.01  -0.01  -0.01    -0.00  -0.00  -0.00
    58   1    -0.01   0.00  -0.01     0.01  -0.00   0.01     0.00  -0.00   0.00
    59   1     0.01   0.01  -0.00    -0.01  -0.01  -0.00    -0.00  -0.00  -0.00
    60   1    -0.00   0.00  -0.00     0.00  -0.01   0.00     0.00  -0.00   0.00
    61   1    -0.01  -0.01   0.00     0.37   0.25   0.01     0.01   0.00   0.00
    62   1     0.01  -0.01   0.01    -0.25   0.16  -0.21    -0.00   0.00  -0.00
    63   1     0.01   0.00  -0.03    -0.15  -0.04   0.37    -0.00  -0.00   0.01
                    160                    161                    162
                      A                      A                      A
 Frequencies --   3043.6614              3043.7706              3062.2768
 Red. masses --      1.0372                 1.0372                 1.0595
 Frc consts  --      5.6611                 5.6615                 5.8538
 IR Inten    --     43.3107                44.5965                16.3434
 RamAct Fr= 1--     55.6291               794.2739               107.0286
  Dep-P Fr= 1--      0.3840                 0.0026                 0.2047
  Dep-U Fr= 1--      0.5549                 0.0052                 0.3398
 Alpha2 Fr= 1--      0.4358                17.5430                 1.4355
 Beta2  Fr= 1--      5.1452                 0.6912                 6.0618
 AlphaG Fr= 1--     -0.1316                -5.3525                 1.3123
 Gamma2 Fr= 1--     16.5461                 0.2667                -1.3525
 Delta2 Fr= 1--     18.5736                 5.4378                 2.0775
 Raman1 Fr= 1--     222.516               3177.096                428.114
 ROA1   Fr= 1--    2182.781                199.608                -63.360
 CID1   Fr= 1--       9.810                  0.063                 -0.148
 Raman2 Fr= 1--      61.742                  8.294                 72.742
 ROA2   Fr= 1--     248.517                -37.103                -49.081
 CID2   Fr= 1--       4.025                 -4.473                 -0.675
 Raman3 Fr= 1--     123.485                 16.588                145.484
 ROA3   Fr= 1--    2182.781                199.608                -63.360
 CID3   Fr= 1--      17.677                 12.033                 -0.436
 RC180  Fr= 1--       0.110                 -0.990                 -0.320
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.02  -0.01  -0.02
     2   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     3   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     4   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     5   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.05   0.04
     7   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     8   8    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     9  29     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    10   8    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    11   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    12   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    13   9     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    14   6     0.00  -0.03  -0.01     0.00  -0.02  -0.01     0.00  -0.00  -0.00
    15   6    -0.02  -0.00  -0.01    -0.02  -0.00  -0.01    -0.00   0.00  -0.00
    16   6     0.00   0.00  -0.02     0.00   0.00  -0.01    -0.00   0.00  -0.00
    17   8    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    18   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    19   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    20   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    21   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    22   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    23   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    24   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.01   0.01
    25   6     0.00   0.00   0.01    -0.00  -0.00  -0.02     0.00  -0.00  -0.00
    26   6    -0.02  -0.00   0.01     0.02   0.00  -0.01     0.00  -0.00  -0.00
    27   6     0.00  -0.02   0.01    -0.00   0.03  -0.01    -0.00   0.00  -0.00
    28   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    29   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    30   9     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    31   8    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    32   9    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    33   9    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    34   9    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    35   9    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    36   1    -0.03  -0.03  -0.00     0.04   0.04   0.00    -0.08  -0.08  -0.01
    37   1     0.02  -0.00  -0.02    -0.03   0.01   0.03     0.07  -0.01  -0.07
    38   1    -0.01  -0.00  -0.00     0.02   0.00   0.00     0.06   0.00   0.01
    39   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.02  -0.02   0.03
    40   1    -0.00   0.01   0.00     0.01  -0.01  -0.00    -0.00   0.00   0.00
    41   1    -0.11  -0.04  -0.00     0.15   0.06   0.00     0.00   0.00   0.00
    42   1     0.00   0.12  -0.08    -0.00  -0.17   0.12    -0.00  -0.00   0.00
    43   1     0.10  -0.11  -0.06    -0.14   0.16   0.08    -0.00   0.00   0.00
    44   1     0.04   0.03   0.10    -0.05  -0.05  -0.14     0.00  -0.00  -0.00
    45   1     0.14  -0.16  -0.08    -0.20   0.23   0.11    -0.00   0.00   0.00
    46   1    -0.00   0.14  -0.12     0.00  -0.20   0.16     0.00  -0.00   0.00
    47   1    -0.16   0.10   0.13     0.21  -0.14  -0.18     0.00  -0.00  -0.00
    48   1     0.22   0.15  -0.01    -0.30  -0.20   0.01    -0.00  -0.00   0.00
    49   1    -0.09  -0.02  -0.23     0.12   0.03   0.31     0.00   0.00   0.01
    50   1     0.00   0.17   0.12     0.00   0.12   0.09     0.00   0.00   0.00
    51   1    -0.15  -0.06   0.00    -0.11  -0.04   0.00    -0.01  -0.00   0.00
    52   1     0.14  -0.16   0.09     0.11  -0.12   0.06     0.01  -0.01   0.01
    53   1    -0.00   0.20   0.16    -0.00   0.15   0.12    -0.00   0.02   0.01
    54   1     0.20  -0.23   0.12     0.15  -0.17   0.08     0.02  -0.02   0.01
    55   1     0.05   0.05  -0.14     0.04   0.04  -0.10    -0.00   0.00  -0.00
    56   1    -0.02  -0.00   0.00    -0.01  -0.00   0.00    -0.34  -0.03   0.03
    57   1     0.00   0.00   0.00     0.00   0.00   0.00     0.09   0.11   0.16
    58   1     0.03  -0.01   0.03     0.02  -0.00   0.02    -0.43   0.09  -0.40
    59   1    -0.04  -0.04   0.00    -0.03  -0.03   0.00     0.47   0.48  -0.03
    60   1    -0.01   0.01  -0.00    -0.00   0.01  -0.00     0.01  -0.01   0.00
    61   1     0.30   0.20   0.01     0.21   0.14   0.01     0.03   0.02   0.00
    62   1    -0.21   0.13  -0.18    -0.15   0.10  -0.13    -0.02   0.01  -0.02
    63   1    -0.12  -0.03   0.30    -0.09  -0.02   0.22    -0.02  -0.00   0.05
                    163                    164                    165
                      A                      A                      A
 Frequencies --   3062.3155              3071.6227              3071.7453
 Red. masses --      1.0595                 1.0635                 1.0635
 Frc consts  --      5.8540                 5.9118                 5.9122
 IR Inten    --     30.5997                59.2053                31.7465
 RamAct Fr= 1--     78.1492                13.0614               541.3210
  Dep-P Fr= 1--      0.3297                 0.5583                 0.0649
  Dep-U Fr= 1--      0.4958                 0.7165                 0.1219
 Alpha2 Fr= 1--      0.7320                 0.0476                10.3181
 Beta2  Fr= 1--      6.4584                 1.5599                11.0009
 AlphaG Fr= 1--      0.6729                 0.0051                 1.2439
 Gamma2 Fr= 1--      7.8372                20.4277               -32.0849
 Delta2 Fr= 1--     15.3786                 8.0017               -31.6598
 Raman1 Fr= 1--     312.597                 52.246               2165.284
 ROA1   Fr= 1--    1244.488               2217.113              -4093.265
 CID1   Fr= 1--       3.981                 42.436                 -1.890
 Raman2 Fr= 1--      77.500                 18.718                132.010
 ROA2   Fr= 1--      65.064                426.252               -516.759
 CID2   Fr= 1--       0.840                 22.772                 -3.915
 Raman3 Fr= 1--     155.000                 37.437                264.021
 ROA3   Fr= 1--    1244.488               2217.113              -4093.265
 CID3   Fr= 1--       8.029                 59.223                -15.504
 RC180  Fr= 1--      -0.008                  0.433                 -0.756
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.04   0.01   0.03     0.03  -0.01  -0.02
     2   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     3   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     4   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     5   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     6   6    -0.00  -0.01   0.01     0.00  -0.02   0.01    -0.00   0.01  -0.01
     7   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     8   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     9  29     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    10   8    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    11   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    12   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    13   9     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    14   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    15   6    -0.00   0.00  -0.00    -0.00   0.00  -0.01     0.00  -0.00   0.01
    16   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    17   8    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    18   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    19   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    20   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    21   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    22   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    23   6     0.02  -0.01   0.02    -0.03   0.01  -0.02    -0.04   0.01  -0.03
    24   6    -0.00  -0.05  -0.04     0.00  -0.01  -0.01     0.00  -0.02  -0.01
    25   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    26   6    -0.00   0.00   0.00    -0.00   0.00   0.01    -0.00   0.00   0.01
    27   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    28   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    29   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    30   9     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    31   8    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    32   9    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    33   9    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    34   9     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    35   9    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    36   1     0.47   0.48   0.03     0.11   0.12   0.01     0.13   0.13   0.01
    37   1    -0.43   0.09   0.40    -0.15   0.03   0.14    -0.18   0.04   0.17
    38   1    -0.34  -0.03  -0.03     0.52   0.04   0.05     0.59   0.04   0.06
    39   1     0.09   0.11  -0.16    -0.12  -0.14   0.21    -0.13  -0.16   0.24
    40   1     0.01  -0.01  -0.00    -0.03   0.04   0.01    -0.03   0.05   0.01
    41   1    -0.01  -0.00  -0.00    -0.00  -0.00   0.00    -0.01  -0.00   0.00
    42   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    43   1     0.01  -0.01  -0.01     0.01  -0.01  -0.01     0.01  -0.01  -0.01
    44   1    -0.00   0.00   0.00    -0.01  -0.01  -0.03    -0.01  -0.01  -0.04
    45   1     0.02  -0.02  -0.01     0.02  -0.03  -0.01     0.03  -0.03  -0.02
    46   1    -0.00   0.02  -0.01     0.00   0.02  -0.02     0.00   0.03  -0.02
    47   1    -0.02   0.01   0.02    -0.01   0.00   0.00    -0.01   0.00   0.01
    48   1     0.03   0.02  -0.00     0.01   0.01  -0.00     0.01   0.01  -0.00
    49   1    -0.02  -0.00  -0.05    -0.00  -0.00  -0.01    -0.01  -0.00  -0.01
    50   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    51   1    -0.00  -0.00   0.00    -0.01  -0.00  -0.00     0.01   0.00   0.00
    52   1     0.00  -0.00   0.00     0.01  -0.01   0.01    -0.01   0.01  -0.01
    53   1    -0.00   0.00   0.00     0.00   0.03   0.02    -0.00  -0.02  -0.02
    54   1     0.00  -0.00   0.00     0.03  -0.03   0.02    -0.03   0.03  -0.01
    55   1    -0.00   0.00   0.00    -0.02  -0.01   0.04     0.01   0.01  -0.03
    56   1    -0.05  -0.00   0.01     0.59   0.04  -0.06    -0.52  -0.04   0.05
    57   1     0.01   0.02   0.03    -0.13  -0.16  -0.24     0.12   0.14   0.21
    58   1    -0.07   0.01  -0.07    -0.18   0.04  -0.16     0.16  -0.03   0.14
    59   1     0.08   0.08  -0.01     0.13   0.13  -0.01    -0.11  -0.12   0.01
    60   1     0.00  -0.00   0.00    -0.03   0.05  -0.01     0.03  -0.04   0.01
    61   1     0.00   0.00   0.00     0.01   0.01   0.00    -0.01  -0.01  -0.00
    62   1    -0.00   0.00  -0.00    -0.01   0.00  -0.01     0.01  -0.00   0.01
    63   1    -0.00  -0.00   0.01    -0.01  -0.00   0.01     0.01   0.00  -0.01
                    166                    167                    168
                      A                      A                      A
 Frequencies --   3087.0786              3087.0936              3093.6123
 Red. masses --      1.1012                 1.1012                 1.1005
 Frc consts  --      6.1834                 6.1835                 6.2054
 IR Inten    --      1.3013                 1.3328                 4.7043
 RamAct Fr= 1--      7.8668                 7.9475               118.1751
  Dep-P Fr= 1--      0.7459                 0.7459                 0.7099
  Dep-U Fr= 1--      0.8545                 0.8545                 0.8303
 Alpha2 Fr= 1--      0.0005                 0.0006                 0.0822
 Beta2  Fr= 1--      1.1203                 1.1318                16.3538
 AlphaG Fr= 1--     -0.0200                -0.0201                 0.7209
 Gamma2 Fr= 1--     -7.6725                -7.9044               -60.5790
 Delta2 Fr= 1--     -4.2582                -4.3472               -47.3638
 Raman1 Fr= 1--      31.467                 31.790                472.700
 ROA1   Fr= 1--    -872.828               -897.932              -7331.230
 CID1   Fr= 1--     -27.738                -28.246                -15.509
 Raman2 Fr= 1--      13.444                 13.582                196.246
 ROA2   Fr= 1--    -150.075               -154.927              -1074.986
 CID2   Fr= 1--     -11.163                -11.407                 -5.478
 Raman3 Fr= 1--      26.888                 27.163                392.491
 ROA3   Fr= 1--    -872.828               -897.932              -7331.230
 CID3   Fr= 1--     -32.461                -33.057                -18.679
 RC180  Fr= 1--       0.709                  0.709                  0.661
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     2   6     0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     3   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     4   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     5   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     6   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     7   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     8   8    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     9  29    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    10   8     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    11   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    12   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    13   9     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    14   6     0.00   0.00  -0.00     0.01   0.00  -0.01    -0.00   0.00  -0.00
    15   6     0.00  -0.00  -0.00     0.03  -0.07  -0.01    -0.01   0.03   0.01
    16   6     0.00  -0.00  -0.00    -0.02   0.05   0.01    -0.02   0.03   0.00
    17   8    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    18   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    19   6    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    20   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    21   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    22   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    23   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    24   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.01  -0.00   0.00
    25   6    -0.02   0.05  -0.01     0.00  -0.00   0.00     0.03  -0.06   0.01
    26   6     0.03  -0.07   0.01    -0.00   0.00   0.00     0.02  -0.04   0.01
    27   6     0.01   0.00   0.01     0.00   0.00   0.00     0.00  -0.00  -0.01
    28   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    29   6    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    30   9     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    31   8    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    32   9    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    33   9     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    34   9     0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    35   9     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    36   1    -0.01  -0.01  -0.00     0.00   0.00   0.00     0.04   0.04   0.00
    37   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.03  -0.01  -0.03
    38   1     0.01   0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    39   1     0.00   0.01  -0.01    -0.00  -0.00   0.00    -0.02  -0.02   0.03
    40   1     0.00   0.00   0.00    -0.00   0.00   0.00     0.01  -0.01  -0.00
    41   1     0.01   0.02  -0.00    -0.00  -0.00   0.00    -0.03  -0.03   0.00
    42   1    -0.02  -0.33   0.24     0.00   0.00  -0.00     0.02   0.39  -0.29
    43   1     0.26  -0.27  -0.16    -0.00   0.00   0.00    -0.30   0.32   0.19
    44   1     0.02  -0.01   0.04    -0.00  -0.00  -0.00     0.01  -0.00   0.02
    45   1    -0.33   0.36   0.20     0.00  -0.00  -0.00    -0.20   0.22   0.12
    46   1     0.01   0.46  -0.38    -0.00  -0.00   0.00     0.01   0.29  -0.24
    47   1    -0.01   0.01   0.01    -0.00   0.00   0.00    -0.06   0.04   0.05
    48   1    -0.07  -0.05   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    49   1    -0.03  -0.01  -0.09    -0.00  -0.00  -0.00     0.01   0.00   0.03
    50   1     0.00   0.00   0.00    -0.02  -0.33  -0.24    -0.01  -0.24  -0.18
    51   1    -0.00  -0.00  -0.00     0.01   0.02   0.00     0.02   0.02   0.00
    52   1    -0.00   0.00  -0.00     0.26  -0.27   0.16     0.18  -0.20   0.12
    53   1     0.00   0.00   0.00     0.01   0.46   0.38    -0.00  -0.17  -0.15
    54   1    -0.00   0.00  -0.00    -0.33   0.37  -0.20     0.12  -0.14   0.08
    55   1     0.00  -0.00  -0.00     0.02  -0.01  -0.04    -0.01   0.00   0.01
    56   1     0.00   0.00  -0.00     0.01   0.00  -0.00     0.00  -0.00  -0.00
    57   1    -0.00  -0.00  -0.00     0.00   0.01   0.01     0.01   0.01   0.02
    58   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.02   0.01  -0.02
    59   1     0.00   0.00  -0.00    -0.01  -0.01   0.00    -0.03  -0.03   0.00
    60   1    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.01   0.01  -0.00
    61   1    -0.00  -0.00  -0.00    -0.07  -0.05  -0.00    -0.00   0.00  -0.00
    62   1    -0.00   0.00  -0.00    -0.01   0.01  -0.01     0.04  -0.02   0.03
    63   1    -0.00  -0.00   0.00    -0.03  -0.01   0.09    -0.01  -0.00   0.02
                    169                    170                    171
                      A                      A                      A
 Frequencies --   3093.6524              3094.7449              3094.7591
 Red. masses --      1.1005                 1.1054                 1.1054
 Frc consts  --      6.2056                 6.2376                 6.2377
 IR Inten    --     67.4750                 5.5416                 2.4058
 RamAct Fr= 1--    130.2934                30.1923                54.7993
  Dep-P Fr= 1--      0.7480                 0.5799                 0.4977
  Dep-U Fr= 1--      0.8558                 0.7341                 0.6647
 Alpha2 Fr= 1--      0.0044                 0.0963                 0.2735
 Beta2  Fr= 1--     18.5851                 3.6942                 6.0704
 AlphaG Fr= 1--      0.0398                -0.1314                -0.3604
 Gamma2 Fr= 1--     65.9825                14.3641                -4.9542
 Delta2 Fr= 1--     43.6456                 8.7127                 4.0686
 Raman1 Fr= 1--     521.174                120.769                219.197
 ROA1   Fr= 1--    7730.978               1657.760               -345.408
 CID1   Fr= 1--      14.834                 13.727                 -1.576
 Raman2 Fr= 1--     223.021                 44.330                 72.845
 ROA2   Fr= 1--    1234.415                275.038               -151.450
 CID2   Fr= 1--       5.535                  6.204                 -2.079
 Raman3 Fr= 1--     446.042                 88.660                145.691
 ROA3   Fr= 1--    7730.978               1657.760               -345.408
 CID3   Fr= 1--      17.332                 18.698                 -2.371
 RC180  Fr= 1--       0.712                  0.468                  0.329
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.02   0.02   0.02    -0.01  -0.00  -0.01
     2   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     3   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     4   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     6   6    -0.01  -0.00  -0.00    -0.07  -0.03  -0.03     0.02   0.01   0.01
     7   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     8   8    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     9  29     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    10   8    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    11   6    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    12   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    13   9    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    14   6     0.00  -0.00   0.01     0.01   0.00  -0.00    -0.00  -0.00   0.00
    15   6     0.02  -0.04  -0.01    -0.00   0.01  -0.00     0.00  -0.00   0.00
    16   6     0.03  -0.06  -0.01    -0.00   0.01   0.00     0.00  -0.00  -0.00
    17   8    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    18   6     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    19   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    20   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    21   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    22   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    23   6     0.00   0.00  -0.00     0.01   0.00  -0.01     0.02   0.02  -0.02
    24   6    -0.00  -0.00   0.00    -0.02  -0.01   0.01    -0.07  -0.03   0.03
    25   6     0.02  -0.03   0.01    -0.00   0.00  -0.00    -0.00   0.01  -0.00
    26   6     0.01  -0.03   0.01    -0.00   0.00   0.00    -0.00   0.01   0.00
    27   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.01   0.00   0.00
    28   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    29   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    30   9    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    31   8    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    32   9    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    33   9    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    34   9    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    35   9    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    36   1     0.03   0.03   0.00     0.10   0.11   0.01     0.40   0.43   0.05
    37   1     0.02  -0.01  -0.02     0.11  -0.03  -0.11     0.44  -0.11  -0.43
    38   1    -0.00   0.00  -0.00    -0.03  -0.00  -0.01    -0.14  -0.01  -0.02
    39   1    -0.01  -0.01   0.02    -0.04  -0.05   0.08    -0.15  -0.20   0.30
    40   1     0.01  -0.01  -0.00    -0.00   0.00   0.00    -0.00   0.01   0.00
    41   1    -0.02  -0.02   0.00    -0.00   0.00  -0.00    -0.01  -0.00  -0.00
    42   1     0.01   0.24  -0.18    -0.00  -0.01   0.01    -0.00  -0.05   0.03
    43   1    -0.18   0.20   0.12     0.01  -0.01  -0.01     0.04  -0.04  -0.02
    44   1     0.01  -0.00   0.01    -0.00  -0.00  -0.01    -0.01  -0.01  -0.04
    45   1    -0.12   0.14   0.07     0.01  -0.01  -0.00     0.03  -0.03  -0.02
    46   1     0.00   0.18  -0.15    -0.00  -0.01   0.01    -0.00  -0.02   0.02
    47   1    -0.04   0.02   0.03    -0.00   0.00   0.00    -0.02   0.01   0.02
    48   1     0.00   0.00  -0.00    -0.02  -0.01   0.00    -0.07  -0.05   0.00
    49   1     0.01   0.00   0.02    -0.01  -0.00  -0.02    -0.02  -0.00  -0.06
    50   1     0.02   0.39   0.28    -0.00  -0.05  -0.04     0.00   0.01   0.01
    51   1    -0.03  -0.03  -0.00    -0.01  -0.00   0.00     0.00   0.00  -0.00
    52   1    -0.30   0.32  -0.19     0.04  -0.04   0.02    -0.01   0.01  -0.01
    53   1     0.01   0.28   0.24    -0.00  -0.02  -0.02     0.00   0.00   0.00
    54   1    -0.20   0.22  -0.12     0.03  -0.04   0.02    -0.01   0.01  -0.00
    55   1     0.01  -0.00  -0.02    -0.01  -0.01   0.04     0.00   0.00  -0.01
    56   1    -0.00   0.00   0.00    -0.14  -0.01   0.02     0.03   0.00  -0.01
    57   1    -0.02  -0.02  -0.03    -0.15  -0.20  -0.30     0.04   0.05   0.08
    58   1     0.04  -0.01   0.04     0.44  -0.11   0.43    -0.11   0.03  -0.11
    59   1     0.04   0.05  -0.01     0.40   0.43  -0.05    -0.10  -0.11   0.01
    60   1     0.01  -0.01   0.00    -0.00   0.01  -0.00     0.00  -0.00   0.00
    61   1     0.00   0.00   0.00    -0.07  -0.05  -0.00     0.02   0.01   0.00
    62   1    -0.06   0.04  -0.05    -0.02   0.01  -0.02     0.01  -0.00   0.01
    63   1     0.01   0.00  -0.03    -0.02  -0.00   0.06     0.01   0.00  -0.02
                    172                    173                    174
                      A                      A                      A
 Frequencies --   3104.9284              3104.9963              3107.3770
 Red. masses --      1.1018                 1.1018                 1.1012
 Frc consts  --      6.2582                 6.2584                 6.2647
 IR Inten    --     30.7066                16.7525                 8.6717
 RamAct Fr= 1--     35.3165                98.3818                72.4493
  Dep-P Fr= 1--      0.7170                 0.6972                 0.7500
  Dep-U Fr= 1--      0.8352                 0.8216                 0.8571
 Alpha2 Fr= 1--      0.0201                 0.0907                 0.0000
 Beta2  Fr= 1--      4.9158                13.4712                10.3499
 AlphaG Fr= 1--      0.0679                 0.3327                -0.0005
 Gamma2 Fr= 1--     22.7466               -25.1523                22.4739
 Delta2 Fr= 1--     27.4983                -9.0453                 5.2337
 Raman1 Fr= 1--     141.266                393.527                289.797
 ROA1   Fr= 1--    3063.619              -2704.076               2324.975
 CID1   Fr= 1--      21.687                 -6.871                  8.023
 Raman2 Fr= 1--      58.990                161.654                124.199
 ROA2   Fr= 1--     325.933               -531.294                497.505
 CID2   Fr= 1--       5.525                 -3.287                  4.006
 Raman3 Fr= 1--     117.980                323.309                248.398
 ROA3   Fr= 1--    3063.619              -2704.076               2324.975
 CID3   Fr= 1--      25.967                 -8.364                  9.360
 RC180  Fr= 1--       0.670                  0.643                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     2   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     3   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     4   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     5   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     6   6     0.01   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     7   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     8   8    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     9  29    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    10   8     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    11   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    12   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    13   9    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    14   6     0.06   0.03  -0.05     0.02   0.01  -0.02    -0.06   0.02  -0.07
    15   6    -0.00   0.01   0.00    -0.00   0.00   0.00     0.00  -0.01   0.00
    16   6     0.01  -0.01  -0.00     0.00  -0.00  -0.00     0.01  -0.00   0.00
    17   8    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    18   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    19   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    20   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    21   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    22   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    23   6    -0.00  -0.00   0.00     0.01   0.00  -0.00     0.00   0.00  -0.00
    24   6     0.00   0.00  -0.00    -0.01  -0.00   0.00    -0.00  -0.00   0.00
    25   6     0.00  -0.00   0.00    -0.01   0.01  -0.00     0.00  -0.00  -0.00
    26   6    -0.00   0.00  -0.00     0.00  -0.01   0.00     0.00  -0.00  -0.00
    27   6     0.02   0.01   0.02    -0.06  -0.03  -0.05    -0.00   0.00   0.00
    28   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    29   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    30   9    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    31   8     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    32   9    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    33   9     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    34   9    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    35   9    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    36   1    -0.01  -0.01  -0.00     0.04   0.04   0.01     0.00   0.00   0.00
    37   1    -0.01   0.00   0.01     0.03  -0.01  -0.03     0.00  -0.00  -0.00
    38   1     0.01   0.00   0.00    -0.03  -0.00  -0.00    -0.00  -0.00  -0.00
    39   1     0.01   0.01  -0.02    -0.03  -0.04   0.06    -0.00  -0.00   0.00
    40   1    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    41   1    -0.02  -0.01  -0.00     0.04   0.02   0.00    -0.00  -0.00  -0.00
    42   1     0.00   0.02  -0.01    -0.00  -0.06   0.04     0.00   0.00  -0.00
    43   1    -0.02   0.02   0.01     0.04  -0.05  -0.03    -0.00   0.00   0.00
    44   1    -0.00  -0.00  -0.00     0.00  -0.00   0.01     0.00   0.00   0.00
    45   1     0.01  -0.01  -0.00    -0.02   0.03   0.01    -0.00   0.00   0.00
    46   1    -0.00  -0.02   0.01     0.00   0.05  -0.04     0.00   0.00  -0.00
    47   1     0.01  -0.00  -0.00    -0.04   0.01   0.00     0.03  -0.02  -0.02
    48   1    -0.18  -0.12   0.01     0.50   0.35  -0.03     0.02   0.01   0.00
    49   1    -0.09  -0.02  -0.22     0.25   0.05   0.64    -0.01  -0.00  -0.01
    50   1     0.00   0.06   0.04     0.00   0.02   0.02     0.00   0.02   0.01
    51   1    -0.04  -0.02   0.00    -0.01  -0.00   0.00    -0.08  -0.04   0.00
    52   1    -0.04   0.05  -0.03    -0.01   0.02  -0.01    -0.04   0.05  -0.03
    53   1    -0.00  -0.05  -0.04    -0.00  -0.02  -0.02     0.00   0.04   0.03
    54   1     0.02  -0.03   0.01     0.01  -0.01   0.00    -0.03   0.03  -0.02
    55   1    -0.00  -0.00   0.01    -0.00   0.00   0.00     0.01   0.01  -0.02
    56   1     0.04   0.00  -0.00     0.01   0.00  -0.00    -0.02  -0.00   0.00
    57   1     0.03   0.04   0.06     0.01   0.01   0.02    -0.02  -0.03  -0.04
    58   1    -0.03   0.01  -0.03    -0.01   0.00  -0.01     0.01  -0.00   0.01
    59   1    -0.04  -0.04   0.01    -0.01  -0.01   0.00     0.01   0.01  -0.00
    60   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.01   0.01  -0.00
    61   1    -0.51  -0.36  -0.03    -0.18  -0.12  -0.01     0.30   0.22  -0.00
    62   1     0.01   0.01  -0.02     0.00   0.00  -0.00     0.57  -0.38   0.48
    63   1    -0.24  -0.05   0.63    -0.09  -0.02   0.22    -0.15  -0.02   0.32
                    175                    176                    177
                      A                      A                      A
 Frequencies --   3107.4617              3112.2185              3112.2990
 Red. masses --      1.1012                 1.0998                 1.0998
 Frc consts  --      6.2652                 6.2764                 6.2768
 IR Inten    --      9.0460                33.3902                 8.0729
 RamAct Fr= 1--     77.6256                29.9137                86.9058
  Dep-P Fr= 1--      0.7499                 0.7352                 0.7261
  Dep-U Fr= 1--      0.8571                 0.8474                 0.8413
 Alpha2 Fr= 1--      0.0001                 0.0076                 0.0357
 Beta2  Fr= 1--     11.0885                 4.2247                12.1856
 AlphaG Fr= 1--     -0.0194                -0.0118                -0.0545
 Gamma2 Fr= 1--    -19.1056                26.3634               -24.0401
 Delta2 Fr= 1--    -23.4663                14.5902               -17.3816
 Raman1 Fr= 1--     310.502                119.655                347.623
 ROA1   Fr= 1--   -2585.059               2997.776              -2864.065
 CID1   Fr= 1--      -8.325                 25.053                 -8.239
 Raman2 Fr= 1--     133.063                 50.696                146.227
 ROA2   Fr= 1--    -270.803                516.001               -437.911
 CID2   Fr= 1--      -2.035                 10.178                 -2.995
 Raman3 Fr= 1--     266.125                101.392                292.454
 ROA3   Fr= 1--   -2585.059               2997.776              -2864.065
 CID3   Fr= 1--      -9.714                 29.566                 -9.793
 RC180  Fr= 1--       0.714                  0.695                  0.683
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.01   0.01   0.01
     2   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     3   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     4   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     5   6     0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     6   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.01   0.00   0.00
     7   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     8   8    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     9  29     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    10   8    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    11   6     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    12   6     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    13   9    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    14   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.01
    15   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    16   6    -0.00   0.00  -0.00    -0.03  -0.01  -0.01    -0.07  -0.03  -0.02
    17   8     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    18   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    19   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    20   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    21   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    22   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    23   6     0.00   0.00  -0.00     0.01   0.01  -0.01    -0.01  -0.00   0.00
    24   6    -0.00  -0.00   0.00     0.01   0.00  -0.00    -0.00  -0.00   0.00
    25   6     0.01  -0.00  -0.00    -0.07  -0.03   0.02     0.03   0.01  -0.01
    26   6     0.00  -0.01  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    27   6    -0.06   0.01   0.06    -0.00   0.00   0.01     0.00  -0.00  -0.00
    28   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    29   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    30   9     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    31   8     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    32   9     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    33   9     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    34   9    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    35   9    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    36   1     0.01   0.01   0.00    -0.03  -0.04  -0.00     0.01   0.01   0.00
    37   1     0.01  -0.00  -0.02    -0.05   0.01   0.04     0.02  -0.00  -0.02
    38   1    -0.02  -0.00  -0.00    -0.09  -0.00  -0.01     0.04   0.00   0.00
    39   1    -0.02  -0.03   0.04    -0.06  -0.09   0.13     0.03   0.03  -0.05
    40   1    -0.01   0.01   0.00    -0.01   0.01   0.00     0.00  -0.01  -0.00
    41   1    -0.08  -0.03  -0.00     0.75   0.31   0.02    -0.27  -0.11  -0.01
    42   1     0.00   0.01  -0.01    -0.01   0.25  -0.18     0.00  -0.09   0.07
    43   1    -0.04   0.05   0.03     0.14  -0.18  -0.09    -0.05   0.07   0.03
    44   1     0.01   0.01   0.02     0.02   0.02   0.05    -0.01  -0.01  -0.02
    45   1    -0.03   0.03   0.02    -0.01   0.01   0.01     0.00  -0.00  -0.00
    46   1     0.00   0.04  -0.03     0.00   0.00  -0.00    -0.00  -0.00   0.00
    47   1     0.57  -0.38  -0.48     0.04  -0.03  -0.03    -0.02   0.01   0.01
    48   1     0.32   0.24   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    49   1    -0.14  -0.02  -0.29    -0.02  -0.01  -0.06     0.01   0.00   0.02
    50   1    -0.00  -0.00  -0.00    -0.00   0.09   0.07    -0.01   0.25   0.18
    51   1     0.01   0.00  -0.00     0.28   0.11  -0.01     0.75   0.31  -0.02
    52   1     0.00  -0.00   0.00     0.05  -0.07   0.03     0.14  -0.18   0.09
    53   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    54   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.01   0.01  -0.01
    55   1    -0.00  -0.00   0.00     0.01   0.01  -0.02     0.02   0.02  -0.05
    56   1     0.00   0.00  -0.00    -0.03  -0.00   0.00    -0.09  -0.00   0.01
    57   1     0.00   0.00   0.00    -0.02  -0.03  -0.04    -0.06  -0.09  -0.13
    58   1    -0.00   0.00  -0.00    -0.02   0.00  -0.02    -0.05   0.01  -0.05
    59   1    -0.00  -0.00   0.00    -0.01  -0.01   0.00    -0.03  -0.04   0.00
    60   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.01   0.01  -0.00
    61   1    -0.01  -0.01   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    62   1    -0.03   0.02  -0.02     0.01  -0.01   0.01     0.04  -0.03   0.03
    63   1     0.01   0.00  -0.01    -0.01  -0.00   0.02    -0.02  -0.00   0.06
                    178                    179                    180
                      A                      A                      A
 Frequencies --   3115.5825              3115.6570              3128.1736
 Red. masses --      1.1035                 1.1035                 1.0883
 Frc consts  --      6.3113                 6.3115                 6.2748
 IR Inten    --     74.1376                33.3872                34.8870
 RamAct Fr= 1--     21.8581               102.3316                54.9281
  Dep-P Fr= 1--      0.7497                 0.7347                 0.2077
  Dep-U Fr= 1--      0.8569                 0.8471                 0.3440
 Alpha2 Fr= 1--      0.0001                 0.0267                 0.7308
 Beta2  Fr= 1--      3.1219                14.4474                 3.1490
 AlphaG Fr= 1--     -0.0002                -0.0520                 0.4069
 Gamma2 Fr= 1--     47.1348               -50.1007                28.6844
 Delta2 Fr= 1--     36.6010               -40.8889                18.0685
 Raman1 Fr= 1--      87.432                409.326                219.712
 ROA1   Fr= 1--    5696.177              -6118.114               3331.891
 CID1   Fr= 1--      65.149                -14.947                 15.165
 Raman2 Fr= 1--      37.462                173.369                 37.788
 ROA2   Fr= 1--     838.428               -875.306                543.877
 CID2   Fr= 1--      22.381                 -5.049                 14.393
 Raman3 Fr= 1--      74.925                346.738                 75.576
 ROA3   Fr= 1--    5696.177              -6118.114               3331.891
 CID3   Fr= 1--      76.026                -17.645                 44.087
 RC180  Fr= 1--       0.714                  0.694                 -0.312
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.03  -0.03    -0.04  -0.02  -0.03     0.01   0.00  -0.00
     2   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.04  -0.07   0.02
     3   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     4   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     5   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     6   6    -0.02  -0.01  -0.01    -0.02  -0.01  -0.01     0.00   0.00  -0.00
     7   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     8   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     9  29     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    10   8    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    11   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    12   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    13   9     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    14   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    15   6     0.00   0.00  -0.01     0.00   0.00  -0.01    -0.00  -0.00   0.01
    16   6    -0.01  -0.01  -0.00    -0.01  -0.01  -0.00     0.00  -0.00   0.00
    17   8     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    18   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    19   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    20   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    21   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.01  -0.02  -0.00
    22   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    23   6    -0.04  -0.02   0.03     0.04   0.03  -0.03     0.00  -0.00   0.00
    24   6    -0.02  -0.01   0.01     0.02   0.01  -0.01     0.00   0.00   0.00
    25   6    -0.01  -0.01   0.00     0.01   0.01  -0.00     0.00  -0.00  -0.00
    26   6     0.00   0.00   0.01    -0.00  -0.00  -0.01     0.00  -0.00  -0.00
    27   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    28   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    29   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    30   9     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    31   8    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    32   9    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    33   9    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    34   9    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    35   9    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    36   1     0.11   0.13   0.01    -0.13  -0.14  -0.02    -0.00  -0.00  -0.00
    37   1     0.15  -0.04  -0.15    -0.17   0.04   0.16     0.00   0.00  -0.00
    38   1     0.27   0.01   0.04    -0.30  -0.02  -0.04    -0.02  -0.00  -0.00
    39   1     0.19   0.25  -0.39    -0.21  -0.28   0.43     0.00   0.00  -0.00
    40   1    -0.02   0.03   0.01     0.02  -0.03  -0.01    -0.14   0.22   0.06
    41   1     0.12   0.05   0.00    -0.14  -0.06  -0.00    -0.00  -0.00  -0.00
    42   1    -0.00   0.04  -0.03     0.00  -0.05   0.04     0.00  -0.00   0.00
    43   1     0.02  -0.03  -0.01    -0.03   0.03   0.02    -0.00   0.00   0.00
    44   1    -0.04  -0.04  -0.11     0.04   0.04   0.12     0.00   0.00   0.01
    45   1     0.02  -0.02  -0.01    -0.02   0.02   0.01    -0.01   0.00   0.00
    46   1     0.00   0.03  -0.02    -0.00  -0.04   0.02    -0.00  -0.00   0.00
    47   1     0.02  -0.02  -0.02    -0.03   0.02   0.02    -0.00   0.00   0.00
    48   1     0.03   0.02  -0.00    -0.03  -0.02   0.00    -0.00  -0.00  -0.00
    49   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    50   1    -0.00   0.05   0.03    -0.00   0.05   0.03     0.00  -0.00  -0.00
    51   1     0.14   0.06  -0.00     0.13   0.05  -0.00    -0.02  -0.01   0.00
    52   1     0.03  -0.03   0.02     0.02  -0.03   0.02    -0.02   0.02  -0.01
    53   1     0.00   0.03   0.02     0.00   0.03   0.02    -0.00  -0.01  -0.01
    54   1     0.02  -0.02   0.01     0.02  -0.02   0.01    -0.02   0.02  -0.01
    55   1    -0.04  -0.04   0.12    -0.04  -0.04   0.11     0.02   0.02  -0.05
    56   1     0.31   0.02  -0.04     0.27   0.01  -0.04    -0.08  -0.01   0.01
    57   1     0.21   0.28   0.43     0.19   0.25   0.38     0.00   0.00   0.01
    58   1     0.17  -0.04   0.16     0.15  -0.04   0.15    -0.00   0.00  -0.00
    59   1     0.13   0.14  -0.02     0.11   0.13  -0.01    -0.01  -0.01   0.00
    60   1    -0.02   0.03  -0.01    -0.02   0.03  -0.01    -0.50   0.78  -0.20
    61   1     0.03   0.02   0.00     0.03   0.02   0.00    -0.01  -0.00  -0.00
    62   1     0.02  -0.02   0.02     0.02  -0.02   0.02    -0.01   0.00  -0.01
    63   1     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.01
                    181                    182                    183
                      A                      A                      A
 Frequencies --   3128.2902              3132.7690              3132.8393
 Red. masses --      1.0884                 1.0959                 1.0959
 Frc consts  --      6.2753                 6.3371                 6.3373
 IR Inten    --     12.4325                22.4453                25.1824
 RamAct Fr= 1--    166.5602                71.9754                63.8077
  Dep-P Fr= 1--      0.1839                 0.5844                 0.4707
  Dep-U Fr= 1--      0.3107                 0.7377                 0.6401
 Alpha2 Fr= 1--      2.3598                 0.2230                 0.3591
 Beta2  Fr= 1--      8.6243                 8.8489                 6.8068
 AlphaG Fr= 1--      1.3116                 0.1916                 0.3099
 Gamma2 Fr= 1--    -33.3813                 6.3494                 0.0953
 Delta2 Fr= 1--    -19.1171                -0.2852                -0.8128
 Raman1 Fr= 1--     666.241                287.902                255.231
 ROA1   Fr= 1--   -3816.349                600.419                -16.858
 CID1   Fr= 1--      -5.728                  2.086                 -0.066
 Raman2 Fr= 1--     103.492                106.187                 81.681
 ROA2   Fr= 1--    -648.213                154.668                  8.790
 CID2   Fr= 1--      -6.263                  1.457                  0.108
 Raman3 Fr= 1--     206.984                212.374                163.363
 ROA3   Fr= 1--   -3816.349                600.419                -16.858
 CID3   Fr= 1--     -18.438                  2.827                 -0.103
 RC180  Fr= 1--      -0.379                  0.475                  0.280
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.02   0.01   0.01     0.00   0.00   0.00
     2   6    -0.01   0.02  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     3   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     4   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     5   6     0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     6   6    -0.00  -0.00   0.00     0.01   0.01   0.00     0.00   0.00   0.00
     7   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     8   8    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     9  29    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    10   8    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    11   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    12   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    13   9     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    14   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    15   6     0.00   0.00  -0.00     0.02   0.02  -0.08     0.00   0.00  -0.01
    16   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    17   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    18   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    19   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    20   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    21   6     0.04  -0.07  -0.02     0.00  -0.00  -0.00    -0.00   0.00   0.00
    22   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    23   6     0.01   0.00   0.00     0.00   0.00  -0.00    -0.01  -0.01   0.01
    24   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.01  -0.01   0.00
    25   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    26   6    -0.00  -0.00  -0.01     0.00   0.00   0.01    -0.02  -0.02  -0.08
    27   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    28   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    29   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    30   9    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    31   8     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    32   9    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    33   9    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    34   9     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    35   9     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    36   1    -0.01  -0.01  -0.00    -0.01  -0.01  -0.00     0.08   0.08   0.01
    37   1    -0.00   0.00   0.00    -0.01   0.00   0.01     0.04  -0.01  -0.04
    38   1    -0.08  -0.01  -0.01    -0.02  -0.00  -0.00     0.15   0.01   0.02
    39   1     0.00   0.00  -0.01    -0.00  -0.01   0.01     0.04   0.05  -0.08
    40   1    -0.50   0.78   0.20    -0.00   0.00   0.00     0.03  -0.04  -0.01
    41   1    -0.02  -0.01  -0.00     0.00   0.00   0.00    -0.01  -0.00  -0.00
    42   1     0.00  -0.01   0.00    -0.00   0.00  -0.00     0.00  -0.01   0.01
    43   1    -0.02   0.02   0.01     0.00  -0.00  -0.00    -0.00   0.00   0.00
    44   1     0.02   0.02   0.05    -0.04  -0.03  -0.10     0.31   0.28   0.81
    45   1    -0.02   0.02   0.01     0.02  -0.02  -0.01    -0.13   0.14   0.06
    46   1    -0.00  -0.01   0.01     0.00   0.02  -0.02    -0.00  -0.19   0.14
    47   1    -0.01   0.00   0.01     0.00  -0.00  -0.00    -0.01   0.00   0.00
    48   1    -0.01  -0.01   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    49   1     0.00   0.00   0.01    -0.00  -0.00  -0.00     0.00   0.00   0.01
    50   1    -0.00   0.00   0.00    -0.00   0.01   0.01    -0.00   0.00   0.00
    51   1     0.01   0.00  -0.00     0.01   0.00  -0.00     0.00   0.00  -0.00
    52   1     0.00  -0.01   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    53   1     0.00   0.00   0.00     0.00   0.19   0.14     0.00   0.02   0.02
    54   1     0.01  -0.01   0.00     0.13  -0.14   0.06     0.02  -0.02   0.01
    55   1    -0.01  -0.01   0.02    -0.32  -0.28   0.81    -0.04  -0.03   0.10
    56   1     0.02   0.00  -0.00    -0.15  -0.01   0.02    -0.02  -0.00   0.00
    57   1    -0.00  -0.00  -0.00    -0.04  -0.05  -0.08    -0.00  -0.01  -0.01
    58   1     0.00  -0.00   0.00    -0.04   0.01  -0.04    -0.01   0.00  -0.01
    59   1     0.00   0.00  -0.00    -0.08  -0.08   0.01    -0.01  -0.01   0.00
    60   1     0.14  -0.22   0.06    -0.02   0.04  -0.01    -0.00   0.01  -0.00
    61   1     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    62   1     0.00  -0.00   0.00     0.01  -0.00   0.00     0.00  -0.00   0.00
    63   1    -0.00  -0.00   0.00    -0.00  -0.00   0.01    -0.00  -0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  8 and mass  15.99491
 Atom     9 has atomic number 29 and mass  62.92960
 Atom    10 has atomic number  8 and mass  15.99491
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  9 and mass  18.99840
 Atom    14 has atomic number  6 and mass  12.00000
 Atom    15 has atomic number  6 and mass  12.00000
 Atom    16 has atomic number  6 and mass  12.00000
 Atom    17 has atomic number  8 and mass  15.99491
 Atom    18 has atomic number  6 and mass  12.00000
 Atom    19 has atomic number  6 and mass  12.00000
 Atom    20 has atomic number  6 and mass  12.00000
 Atom    21 has atomic number  6 and mass  12.00000
 Atom    22 has atomic number  6 and mass  12.00000
 Atom    23 has atomic number  6 and mass  12.00000
 Atom    24 has atomic number  6 and mass  12.00000
 Atom    25 has atomic number  6 and mass  12.00000
 Atom    26 has atomic number  6 and mass  12.00000
 Atom    27 has atomic number  6 and mass  12.00000
 Atom    28 has atomic number  6 and mass  12.00000
 Atom    29 has atomic number  6 and mass  12.00000
 Atom    30 has atomic number  9 and mass  18.99840
 Atom    31 has atomic number  8 and mass  15.99491
 Atom    32 has atomic number  9 and mass  18.99840
 Atom    33 has atomic number  9 and mass  18.99840
 Atom    34 has atomic number  9 and mass  18.99840
 Atom    35 has atomic number  9 and mass  18.99840
 Atom    36 has atomic number  1 and mass   1.00783
 Atom    37 has atomic number  1 and mass   1.00783
 Atom    38 has atomic number  1 and mass   1.00783
 Atom    39 has atomic number  1 and mass   1.00783
 Atom    40 has atomic number  1 and mass   1.00783
 Atom    41 has atomic number  1 and mass   1.00783
 Atom    42 has atomic number  1 and mass   1.00783
 Atom    43 has atomic number  1 and mass   1.00783
 Atom    44 has atomic number  1 and mass   1.00783
 Atom    45 has atomic number  1 and mass   1.00783
 Atom    46 has atomic number  1 and mass   1.00783
 Atom    47 has atomic number  1 and mass   1.00783
 Atom    48 has atomic number  1 and mass   1.00783
 Atom    49 has atomic number  1 and mass   1.00783
 Atom    50 has atomic number  1 and mass   1.00783
 Atom    51 has atomic number  1 and mass   1.00783
 Atom    52 has atomic number  1 and mass   1.00783
 Atom    53 has atomic number  1 and mass   1.00783
 Atom    54 has atomic number  1 and mass   1.00783
 Atom    55 has atomic number  1 and mass   1.00783
 Atom    56 has atomic number  1 and mass   1.00783
 Atom    57 has atomic number  1 and mass   1.00783
 Atom    58 has atomic number  1 and mass   1.00783
 Atom    59 has atomic number  1 and mass   1.00783
 Atom    60 has atomic number  1 and mass   1.00783
 Atom    61 has atomic number  1 and mass   1.00783
 Atom    62 has atomic number  1 and mass   1.00783
 Atom    63 has atomic number  1 and mass   1.00783
 Molecular mass:   557.11878 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  9988.68466********************
           X            0.99872   0.05048   0.00000
           Y           -0.05048   0.99872  -0.00000
           Z           -0.00000  -0.00000   1.00000
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.00867     0.00313     0.00254
 Rotational constants (GHZ):           0.18068     0.06517     0.05287
 Zero-point vibrational energy    1287395.3 (Joules/Mol)
                                  307.69487 (Kcal/Mol)
 Warning -- explicit consideration of  61 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     11.19    19.28    41.52    48.33    57.87
          (Kelvin)             66.07    74.10    88.90   135.81   143.67
                              162.11   167.21   168.23   192.21   203.40
                              232.90   243.30   248.24   272.76   273.12
                              297.95   306.19   312.15   321.87   328.24
                              328.96   335.16   340.46   362.38   367.88
                              381.15   388.77   396.44   410.95   416.14
                              444.28   445.07   463.84   464.39   531.23
                              551.37   566.93   567.78   612.31   642.10
                              643.09   655.36   705.82   721.32   723.48
                              745.31   746.02   754.08   767.24   770.14
                              816.04   821.29   853.56   855.22   873.63
                              892.00   943.47   946.09  1001.55  1008.68
                             1039.56  1040.44  1076.79  1077.08  1091.04
                             1094.06  1180.40  1182.92  1200.47  1200.79
                             1246.11  1246.27  1271.32  1271.60  1301.54
                             1301.66  1344.39  1344.43  1372.44  1372.45
                             1383.20  1383.23  1408.19  1408.27  1470.69
                             1470.72  1482.41  1482.56  1562.01  1562.83
                             1597.54  1597.59  1614.16  1615.22  1631.25
                             1631.54  1665.10  1665.36  1690.51  1690.91
                             1699.20  1699.54  1733.31  1736.33  1745.20
                             1745.71  1767.58  1768.35  1797.64  1800.97
                             1805.11  1806.80  1813.90  1814.33  1864.15
                             1865.74  1892.96  1894.03  1914.00  1914.14
                             1950.99  1952.19  2026.63  2026.79  2041.51
                             2041.54  2056.63  2056.80  2098.31  2117.18
                             2136.69  2136.75  2137.56  2137.61  2148.93
                             2149.05  2157.65  2157.85  2162.62  2162.75
                             2173.20  2173.28  2185.62  2185.67  2193.75
                             2193.79  2226.80  2243.97  2399.29  2419.89
                             4367.96  4367.99  4374.62  4374.67  4379.15
                             4379.31  4405.93  4405.99  4419.38  4419.56
                             4441.62  4441.64  4451.02  4451.08  4452.65
                             4452.67  4467.30  4467.40  4470.82  4470.94
                             4477.79  4477.90  4482.63  4482.74  4500.74
                             4500.91  4507.36  4507.46
 
 Zero-point correction=                           0.490343 (Hartree/Particle)
 Thermal correction to Energy=                    0.524989
 Thermal correction to Enthalpy=                  0.525933
 Thermal correction to Gibbs Free Energy=         0.421795
 Sum of electronic and zero-point Energies=          -3472.400674
 Sum of electronic and thermal Energies=             -3472.366029
 Sum of electronic and thermal Enthalpies=           -3472.365084
 Sum of electronic and thermal Free Energies=        -3472.469223
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  329.435            132.643            219.177
 Electronic               0.000              0.000              1.377
 Translational            0.889              2.981             44.838
 Rotational               0.889              2.981             37.488
 Vibrational            327.658            126.681            135.474
 Vibration     1          0.593              1.987              8.510
 Vibration     2          0.593              1.987              7.430
 Vibration     3          0.593              1.984              5.906
 Vibration     4          0.594              1.983              5.605
 Vibration     5          0.594              1.981              5.248
 Vibration     6          0.595              1.979              4.986
 Vibration     7          0.596              1.977              4.759
 Vibration     8          0.597              1.973              4.399
 Vibration     9          0.603              1.953              3.567
 Vibration    10          0.604              1.949              3.457
 Vibration    11          0.607              1.939              3.222
 Vibration    12          0.608              1.936              3.162
 Vibration    13          0.608              1.935              3.151
 Vibration    14          0.613              1.920              2.894
 Vibration    15          0.615              1.912              2.785
 Vibration    16          0.622              1.889              2.528
 Vibration    17          0.625              1.881              2.445
 Vibration    18          0.626              1.876              2.408
 Vibration    19          0.633              1.854              2.232
 Vibration    20          0.633              1.854              2.230
 Vibration    21          0.641              1.830              2.069
 Vibration    22          0.644              1.821              2.019
 Vibration    23          0.646              1.815              1.984
 Vibration    24          0.649              1.805              1.929
 Vibration    25          0.651              1.798              1.894
 Vibration    26          0.651              1.797              1.890
 Vibration    27          0.654              1.791              1.856
 Vibration    28          0.656              1.785              1.828
 Vibration    29          0.664              1.760              1.717
 Vibration    30          0.666              1.753              1.691
 Vibration    31          0.671              1.737              1.629
 Vibration    32          0.674              1.728              1.595
 Vibration    33          0.677              1.719              1.561
 Vibration    34          0.683              1.700              1.500
 Vibration    35          0.686              1.694              1.478
 Vibration    36          0.698              1.657              1.369
 Vibration    37          0.699              1.656              1.366
 Vibration    38          0.707              1.631              1.298
 Vibration    39          0.708              1.630              1.296
 Vibration    40          0.742              1.535              1.083
 Vibration    41          0.752              1.506              1.026
 Vibration    42          0.761              1.483              0.985
 Vibration    43          0.762              1.482              0.983
 Vibration    44          0.787              1.415              0.873
 Vibration    45          0.806              1.369              0.807
 Vibration    46          0.806              1.368              0.805
 Vibration    47          0.814              1.349              0.779
 Vibration    48          0.846              1.271              0.682
 Vibration    49          0.857              1.247              0.655
 Vibration    50          0.858              1.244              0.651
 Vibration    51          0.873              1.210              0.615
 Vibration    52          0.874              1.209              0.613
 Vibration    53          0.879              1.197              0.600
 Vibration    54          0.888              1.176              0.580
 Vibration    55          0.890              1.172              0.576
 Vibration    56          0.923              1.102              0.510
 Vibration    57          0.927              1.094              0.503
 Vibration    58          0.951              1.046              0.461
 Vibration    59          0.952              1.044              0.459
 Vibration    60          0.966              1.017              0.437
 Vibration    61          0.980              0.990              0.417
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.973115-194       -194.011836       -446.728761
 Total V=0       0.338908D+32         31.530082         72.600697
 Vib (Bot)       0.270639-210       -210.567609       -484.849838
 Vib (Bot)    1  0.266391D+02          1.425520          3.282381
 Vib (Bot)    2  0.154648D+02          1.189343          2.738564
 Vib (Bot)    3  0.717443D+01          0.855788          1.970524
 Vib (Bot)    4  0.616249D+01          0.789756          1.818481
 Vib (Bot)    5  0.514436D+01          0.711331          1.637900
 Vib (Bot)    6  0.450350D+01          0.653550          1.504854
 Vib (Bot)    7  0.401348D+01          0.603521          1.389659
 Vib (Bot)    8  0.334155D+01          0.523948          1.206434
 Vib (Bot)    9  0.217642D+01          0.337743          0.777682
 Vib (Bot)   10  0.205529D+01          0.312873          0.720416
 Vib (Bot)   11  0.181669D+01          0.259281          0.597016
 Vib (Bot)   12  0.175991D+01          0.245490          0.565261
 Vib (Bot)   13  0.174894D+01          0.242775          0.559010
 Vib (Bot)   14  0.152459D+01          0.183154          0.421728
 Vib (Bot)   15  0.143777D+01          0.157689          0.363093
 Vib (Bot)   16  0.124816D+01          0.096271          0.221672
 Vib (Bot)   17  0.119209D+01          0.076308          0.175706
 Vib (Bot)   18  0.116703D+01          0.067083          0.154464
 Vib (Bot)   19  0.105589D+01          0.023619          0.054386
 Vib (Bot)   20  0.105440D+01          0.023006          0.052974
 Vib (Bot)   21  0.960208D+00         -0.017635         -0.040606
 Vib (Bot)   22  0.932220D+00         -0.030482         -0.070186
 Vib (Bot)   23  0.912882D+00         -0.039585         -0.091149
 Vib (Bot)   24  0.882800D+00         -0.054138         -0.124657
 Vib (Bot)   25  0.864020D+00         -0.063476         -0.146159
 Vib (Bot)   26  0.861955D+00         -0.064516         -0.148552
 Vib (Bot)   27  0.844409D+00         -0.073447         -0.169119
 Vib (Bot)   28  0.829908D+00         -0.080970         -0.186441
 Vib (Bot)   29  0.774217D+00         -0.111138         -0.255904
 Vib (Bot)   30  0.761236D+00         -0.118481         -0.272812
 Vib (Bot)   31  0.731399D+00         -0.135846         -0.312796
 Vib (Bot)   32  0.715162D+00         -0.145595         -0.335246
 Vib (Bot)   33  0.699387D+00         -0.155282         -0.357551
 Vib (Bot)   34  0.671115D+00         -0.173203         -0.398815
 Vib (Bot)   35  0.661445D+00         -0.179506         -0.413329
 Vib (Bot)   36  0.612792D+00         -0.212687         -0.489730
 Vib (Bot)   37  0.611521D+00         -0.213588         -0.491806
 Vib (Bot)   38  0.582272D+00         -0.234874         -0.540818
 Vib (Bot)   39  0.581444D+00         -0.235492         -0.542241
 Vib (Bot)   40  0.493352D+00         -0.306843         -0.706531
 Vib (Bot)   41  0.470743D+00         -0.327216         -0.753442
 Vib (Bot)   42  0.454304D+00         -0.342654         -0.788990
 Vib (Bot)   43  0.453428D+00         -0.343492         -0.790918
 Vib (Bot)   44  0.410826D+00         -0.386342         -0.889585
 Vib (Bot)   45  0.385412D+00         -0.414075         -0.953442
 Vib (Bot)   46  0.384606D+00         -0.414984         -0.955537
 Vib (Bot)   47  0.374795D+00         -0.426206         -0.981376
 Vib (Bot)   48  0.337821D+00         -0.471313         -1.085239
 Vib (Bot)   49  0.327434D+00         -0.484876         -1.116469
 Vib (Bot)   50  0.326024D+00         -0.486751         -1.120785
 Vib (Bot)   51  0.312164D+00         -0.505617         -1.164227
 Vib (Bot)   52  0.311728D+00         -0.506224         -1.165624
 Vib (Bot)   53  0.306812D+00         -0.513127         -1.181519
 Vib (Bot)   54  0.298995D+00         -0.524335         -1.207327
 Vib (Bot)   55  0.297310D+00         -0.526790         -1.212980
 Vib (Bot)   56  0.272111D+00         -0.565255         -1.301547
 Vib (Bot)   57  0.269400D+00         -0.569602         -1.311556
 Vib (Bot)   58  0.253438D+00         -0.596128         -1.372636
 Vib (Bot)   59  0.252649D+00         -0.597483         -1.375755
 Vib (Bot)   60  0.244088D+00         -0.612453         -1.410225
 Vib (Bot)   61  0.235892D+00         -0.627287         -1.444381
 Vib (V=0)       0.942560D+15         14.974309         34.479621
 Vib (V=0)    1  0.271438D+02          1.433671          3.301149
 Vib (V=0)    2  0.159728D+02          1.203382          2.770890
 Vib (V=0)    3  0.769184D+01          0.886030          2.040159
 Vib (V=0)    4  0.668274D+01          0.824955          1.899528
 Vib (V=0)    5  0.566860D+01          0.753476          1.734942
 Vib (V=0)    6  0.503117D+01          0.701669          1.615652
 Vib (V=0)    7  0.454450D+01          0.657487          1.513919
 Vib (V=0)    8  0.387875D+01          0.588692          1.355513
 Vib (V=0)    9  0.273312D+01          0.436658          1.005443
 Vib (V=0)   10  0.261523D+01          0.417510          0.961353
 Vib (V=0)   11  0.238424D+01          0.377350          0.868881
 Vib (V=0)   12  0.232955D+01          0.367273          0.845677
 Vib (V=0)   13  0.231901D+01          0.365302          0.841140
 Vib (V=0)   14  0.210449D+01          0.323147          0.744073
 Vib (V=0)   15  0.202223D+01          0.305830          0.704201
 Vib (V=0)   16  0.184458D+01          0.265899          0.612254
 Vib (V=0)   17  0.179270D+01          0.253508          0.583723
 Vib (V=0)   18  0.176963D+01          0.247883          0.570772
 Vib (V=0)   19  0.166829D+01          0.222272          0.511801
 Vib (V=0)   20  0.166695D+01          0.221922          0.510994
 Vib (V=0)   21  0.158259D+01          0.199368          0.459062
 Vib (V=0)   22  0.155784D+01          0.192524          0.443303
 Vib (V=0)   23  0.154084D+01          0.187758          0.432329
 Vib (V=0)   24  0.151456D+01          0.180287          0.415126
 Vib (V=0)   25  0.149826D+01          0.175588          0.404307
 Vib (V=0)   26  0.149648D+01          0.175070          0.403114
 Vib (V=0)   27  0.148134D+01          0.170654          0.392946
 Vib (V=0)   28  0.146889D+01          0.166989          0.384507
 Vib (V=0)   29  0.142164D+01          0.152788          0.351808
 Vib (V=0)   30  0.141076D+01          0.149452          0.344127
 Vib (V=0)   31  0.138597D+01          0.141754          0.326401
 Vib (V=0)   32  0.137261D+01          0.137549          0.316718
 Vib (V=0)   33  0.135973D+01          0.133454          0.307289
 Vib (V=0)   34  0.133690D+01          0.126098          0.290351
 Vib (V=0)   35  0.132916D+01          0.123578          0.284548
 Vib (V=0)   36  0.129089D+01          0.110891          0.255335
 Vib (V=0)   37  0.128991D+01          0.110559          0.254573
 Vib (V=0)   38  0.126749D+01          0.102944          0.237038
 Vib (V=0)   39  0.126686D+01          0.102729          0.236543
 Vib (V=0)   40  0.120242D+01          0.080057          0.184338
 Vib (V=0)   41  0.118673D+01          0.074352          0.171202
 Vib (V=0)   42  0.117557D+01          0.070248          0.161751
 Vib (V=0)   43  0.117498D+01          0.070030          0.161251
 Vib (V=0)   44  0.114713D+01          0.059613          0.137264
 Vib (V=0)   45  0.113130D+01          0.053579          0.123369
 Vib (V=0)   46  0.113081D+01          0.053390          0.122934
 Vib (V=0)   47  0.112488D+01          0.051105          0.117674
 Vib (V=0)   48  0.110343D+01          0.042743          0.098420
 Vib (V=0)   49  0.109767D+01          0.040473          0.093192
 Vib (V=0)   50  0.109690D+01          0.040168          0.092489
 Vib (V=0)   51  0.108945D+01          0.037206          0.085669
 Vib (V=0)   52  0.108922D+01          0.037114          0.085457
 Vib (V=0)   53  0.108663D+01          0.036081          0.083080
 Vib (V=0)   54  0.108258D+01          0.034460          0.079346
 Vib (V=0)   55  0.108172D+01          0.034113          0.078548
 Vib (V=0)   56  0.106925D+01          0.029079          0.066956
 Vib (V=0)   57  0.106796D+01          0.028554          0.065749
 Vib (V=0)   58  0.106056D+01          0.025536          0.058800
 Vib (V=0)   59  0.106021D+01          0.025391          0.058464
 Vib (V=0)   60  0.105640D+01          0.023828          0.054865
 Vib (V=0)   61  0.105285D+01          0.022367          0.051502
 Electronic      0.200000D+01          0.301030          0.693147
 Translational   0.516863D+09          8.713376         20.063289
 Rotational      0.347830D+08          7.541368         17.364641
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000007018    0.000025545   -0.000029899
      2        6           0.000019616    0.000000012    0.000011579
      3        6          -0.000012171    0.000012788    0.000002471
      4        6          -0.000012525    0.000000822   -0.000004275
      5        6           0.000003012   -0.000018180    0.000018963
      6        6          -0.000009664   -0.000021720    0.000007303
      7        6           0.000046203    0.000045895    0.000021747
      8        8           0.000008163    0.000006475    0.000003022
      9       29          -0.000013591    0.000006867   -0.000003870
     10        8           0.000007086   -0.000005854   -0.000006343
     11        6           0.000000855   -0.000008847   -0.000004225
     12        6          -0.000004459   -0.000005579    0.000005324
     13        9           0.000005075    0.000003561    0.000005250
     14        6           0.000010323   -0.000010859   -0.000013835
     15        6          -0.000008818   -0.000014399   -0.000015120
     16        6          -0.000008396    0.000005057    0.000002058
     17        8           0.000000253   -0.000001503   -0.000000038
     18        6           0.000008945    0.000010944   -0.000007448
     19        6          -0.000008639    0.000014764   -0.000024171
     20        6          -0.000063661   -0.000029029    0.000041858
     21        6           0.000016492   -0.000001263   -0.000018688
     22        6          -0.000001210   -0.000010534    0.000010944
     23        6          -0.000000318   -0.000020940   -0.000005886
     24        6           0.000005109    0.000015959    0.000001782
     25        6           0.000007816    0.000004765    0.000006723
     26        6           0.000008047    0.000019992   -0.000014156
     27        6           0.000000585    0.000002025    0.000000457
     28        6           0.000009173   -0.000006560   -0.000005572
     29        6           0.000008166    0.000005796    0.000002185
     30        9          -0.000009693   -0.000004589    0.000007224
     31        8           0.000003930   -0.000008862    0.000001887
     32        9          -0.000009771   -0.000001854   -0.000008217
     33        9          -0.000007992   -0.000004025   -0.000006191
     34        9          -0.000000695    0.000003365   -0.000005930
     35        9           0.000004409    0.000008044   -0.000002848
     36        1           0.000001014   -0.000004542    0.000018316
     37        1           0.000000242    0.000000864    0.000000415
     38        1           0.000000981    0.000000217    0.000008029
     39        1          -0.000003235    0.000011270    0.000004033
     40        1           0.000006643    0.000022186   -0.000004427
     41        1          -0.000000351    0.000004301   -0.000010720
     42        1           0.000002274   -0.000001022   -0.000016082
     43        1          -0.000000530   -0.000003349   -0.000001086
     44        1           0.000007401    0.000007212    0.000006876
     45        1           0.000009039    0.000002340   -0.000004436
     46        1           0.000002984   -0.000006544   -0.000001427
     47        1          -0.000000008    0.000001814   -0.000003067
     48        1          -0.000005507   -0.000022997    0.000005860
     49        1           0.000013476   -0.000013260    0.000010627
     50        1           0.000003154   -0.000009928   -0.000002268
     51        1          -0.000001584    0.000001961    0.000004241
     52        1           0.000000913    0.000002247   -0.000002296
     53        1          -0.000000358    0.000003558   -0.000003546
     54        1          -0.000002902   -0.000004101   -0.000000336
     55        1          -0.000024121   -0.000002750    0.000007105
     56        1          -0.000002878   -0.000006679   -0.000002635
     57        1           0.000005118   -0.000002410    0.000000233
     58        1           0.000001513    0.000001133   -0.000004478
     59        1           0.000001705   -0.000006738    0.000003842
     60        1          -0.000000621   -0.000010437   -0.000007037
     61        1          -0.000009592    0.000011347    0.000007362
     62        1           0.000000278   -0.000004139   -0.000000949
     63        1          -0.000013719    0.000010367    0.000013783
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000063661 RMS     0.000011827
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.400924D+03  0.349854D+02  0.524798D-02
      2   0.349854D+02  0.338012D+03 -0.281672D-02
      3   0.524798D-02 -0.281672D-02  0.250709D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.114674D+02  0.222653D+02  0.385240D-01
      2   0.940596D+01  0.471086D+02  0.269327D-01
      3   0.291594D-01  0.548674D-02 -0.511218D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.211313D+00  0.315159D-01  0.352890D+01
      2  -0.142949D+00  0.101787D-01 -0.111273D+03
      3  -0.683639D-01 -0.416945D-01  0.107744D+03
      4  -0.341711D-01 -0.573575D-01  0.896547D+02
      5   0.142292D+03  0.902848D+02  0.348603D-01
      6   0.153063D+02  0.487959D+02 -0.113544D+00
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   189 ND12= 1 LenFil=    6807:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.772379D+01 -0.934695D+00  0.164100D+01 -0.152380D+00  0.226153D+01
      2  -0.934695D+00  0.429413D+00  0.504576D+00  0.226153D+01 -0.682536D+00
      3   0.164100D+01  0.504576D+00  0.180835D+01 -0.224303D+00  0.299276D+00
                 6             7             8             9            10 
      1  -0.224303D+00 -0.160679D+01 -0.780389D+00  0.230825D+01 -0.251380D+01
      2   0.299276D+00 -0.780389D+00 -0.101028D+01  0.341536D+01 -0.651466D-02
      3   0.341744D+01  0.230825D+01  0.341536D+01  0.338935D+00 -0.285972D+00
                11            12            13            14            15 
      1  -0.651466D-02 -0.285972D+00  0.103384D+01 -0.444993D+01  0.111423D+01
      2  -0.324575D+01  0.954911D+00 -0.444993D+01 -0.785088D+00 -0.207072D+01
      3   0.954911D+00 -0.185327D+01  0.111423D+01 -0.207072D+01 -0.406079D+01
                16            17            18            19            20 
      1   0.745837D+00  0.136316D+01 -0.409609D+01  0.165366D+02  0.652448D+01
      2   0.136316D+01  0.274290D+00 -0.303433D+01  0.652448D+01  0.112112D+02
      3  -0.409609D+01 -0.303433D+01  0.274172D+00  0.396557D+00  0.105274D+01
                21            22            23            24            25 
      1   0.396557D+00  0.250156D+01  0.448615D+01 -0.625837D-01  0.199231D+00
      2   0.105274D+01  0.448615D+01  0.165924D+02  0.233257D+01  0.260992D+00
      3   0.149945D+01 -0.625837D-01  0.233257D+01  0.152011D+01  0.377879D+01
                26            27            28            29            30 
      1   0.260992D+00  0.377879D+01 -0.142026D+02  0.607078D+00 -0.396769D+00
      2   0.199535D+01  0.199552D+01  0.607078D+00  0.105894D+02  0.630427D+00
      3   0.199552D+01  0.813307D+00 -0.396769D+00  0.630427D+00 -0.244461D+00
                31            32            33            34            35 
      1   0.559196D+01  0.502426D+01 -0.439030D+00  0.131355D+01 -0.666128D+00
      2   0.502426D+01  0.279015D+01 -0.101584D+00 -0.666128D+00  0.102434D+01
      3  -0.439030D+00 -0.101584D+00  0.320211D+00  0.165925D+01  0.267649D+01
                36            37            38            39            40 
      1   0.165925D+01  0.362100D+00  0.194997D+01 -0.568874D+00  0.103799D+02
      2   0.267649D+01  0.194997D+01  0.663990D+00  0.220652D+01  0.218314D+01
      3   0.865329D+00 -0.568874D+00  0.220652D+01 -0.321765D+01  0.250142D+01
                41            42            43            44            45 
      1   0.218314D+01  0.250142D+01  0.895317D+00  0.508721D+01 -0.542322D+01
      2  -0.119911D+01 -0.166943D+01  0.508721D+01 -0.507385D+00 -0.143532D+01
      3  -0.166943D+01  0.159096D+01 -0.542322D+01 -0.143532D+01  0.262462D+01
                46            47            48            49            50 
      1  -0.316328D+00 -0.354647D+01  0.161932D+01 -0.525976D+01 -0.510249D+01
      2  -0.354647D+01 -0.352969D+01 -0.413862D+00 -0.510249D+01  0.447668D+00
      3   0.161932D+01 -0.413862D+00  0.328241D+01  0.544036D+00  0.218638D+01
                51            52            53            54            55 
      1   0.544036D+00 -0.271681D+01 -0.325452D+01  0.479572D+01 -0.157772D+01
      2   0.218638D+01 -0.325452D+01 -0.240136D+00 -0.190964D+00 -0.504975D+01
      3  -0.106707D+01  0.479572D+01 -0.190964D+00 -0.184473D+01  0.153611D+01
                56            57            58            59            60 
      1  -0.504975D+01  0.153611D+01 -0.843050D+01  0.886566D+00 -0.192403D+01
      2  -0.404292D+00 -0.171919D+01  0.886566D+00  0.184877D+01  0.328119D+01
      3  -0.171919D+01  0.385582D+01 -0.192403D+01  0.328119D+01  0.287307D+01
                61            62            63            64            65 
      1   0.392191D+01 -0.113033D+01  0.468914D+01  0.164168D+02  0.378334D+01
      2  -0.113033D+01  0.325244D+01  0.253534D+01  0.378334D+01 -0.110646D+02
      3   0.468914D+01  0.253534D+01 -0.105351D+01  0.877831D+00 -0.151739D+01
                66            67            68            69            70 
      1   0.877831D+00  0.842327D+01  0.688364D+00  0.383005D+00  0.252799D+01
      2  -0.151739D+01  0.688364D+00  0.590792D+01  0.591287D+00 -0.320378D-01
      3  -0.405956D+00  0.383005D+00  0.591287D+00  0.739448D+00 -0.106196D+01
                71            72            73            74            75 
      1  -0.320378D-01 -0.106196D+01  0.935995D-02  0.157120D-02 -0.225531D+00
      2  -0.254418D+00  0.114004D+01  0.157120D-02  0.909032D-03 -0.394349D+00
      3   0.114004D+01  0.396261D+00 -0.225531D+00 -0.394349D+00 -0.571121D-04
                76            77            78            79            80 
      1  -0.334645D-02  0.240870D-02 -0.922342D+00  0.244345D+01  0.825735D+00
      2   0.240870D-02  0.106542D-02  0.345411D+00  0.825735D+00  0.314016D+00
      3  -0.922342D+00  0.345411D+00  0.491897D-03  0.534326D-03  0.142190D-02
                81            82            83            84            85 
      1   0.534326D-03  0.257888D+01 -0.102490D+02 -0.172933D+01 -0.112214D+02
      2   0.142190D-02 -0.102490D+02 -0.372150D+01 -0.807975D+00  0.151011D+01
      3  -0.264304D+00 -0.172933D+01 -0.807975D+00 -0.349891D+00  0.662483D+00
                86            87            88            89            90 
      1   0.151011D+01  0.662483D+00 -0.336621D+01  0.329432D+00 -0.184621D+01
      2  -0.185064D+01 -0.484330D-01  0.329432D+00  0.328658D+00 -0.113730D+01
      3  -0.484330D-01 -0.148014D+00 -0.184621D+01 -0.113730D+01 -0.353518D+00
                91            92            93            94            95 
      1  -0.104360D+02  0.486677D+01  0.709146D+00 -0.862469D+01 -0.159825D+02
      2   0.486677D+01 -0.523347D+01 -0.412770D+00 -0.159825D+02 -0.267083D+02
      3   0.709146D+00 -0.412770D+00 -0.126284D+01 -0.218116D+01 -0.326359D+01
                96            97            98            99           100 
      1  -0.218116D+01 -0.283674D+01 -0.246360D+01 -0.229849D+01 -0.682971D+00
      2  -0.326359D+01 -0.246360D+01 -0.352053D+01 -0.482047D+01 -0.479785D+01
      3  -0.249054D+01 -0.229849D+01 -0.482047D+01 -0.180378D+01 -0.345789D+00
               101           102           103           104           105 
      1  -0.479785D+01 -0.345789D+00  0.870173D+00  0.100358D+02  0.168306D+01
      2  -0.338334D+01 -0.194481D+00  0.100358D+02  0.416939D+01  0.581073D+00
      3  -0.194481D+00 -0.114512D+01  0.168306D+01  0.581073D+00 -0.303356D+00
               106           107           108           109           110 
      1   0.203128D+01  0.149339D+01 -0.851536D+00  0.282227D+01  0.876280D+00
      2   0.149339D+01 -0.802819D+00  0.715616D+00  0.876280D+00  0.432041D+01
      3  -0.851536D+00  0.715616D+00 -0.409300D+00  0.156666D+01  0.104903D-01
               111           112           113           114           115 
      1   0.156666D+01 -0.141931D+01 -0.503510D+00 -0.544794D+00  0.147539D+01
      2   0.104903D-01 -0.503510D+00 -0.441916D+01  0.110906D+01  0.503099D+00
      3   0.950062D+00 -0.544794D+00  0.110906D+01 -0.600389D+00  0.149441D+01
               116           117           118           119           120 
      1   0.503099D+00  0.149441D+01 -0.172456D+01 -0.493632D+01  0.351571D+00
      2   0.416932D+01 -0.133128D+01 -0.493632D+01 -0.166977D+01 -0.161171D+01
      3  -0.133128D+01  0.361340D+01  0.351571D+00 -0.161171D+01  0.300564D+01
               121           122           123           124           125 
      1  -0.416309D+01 -0.156351D+01 -0.154293D+01  0.417807D+00 -0.180166D+01
      2  -0.156351D+01 -0.132177D+00  0.171754D+01 -0.180166D+01  0.188768D+01
      3  -0.154293D+01  0.171754D+01 -0.430855D+00  0.286328D+01 -0.710118D+00
               126           127           128           129           130 
      1   0.286328D+01  0.154445D+01  0.443054D+01 -0.642518D+00  0.669724D+01
      2  -0.710118D+00  0.443054D+01 -0.181195D+00  0.165139D+01 -0.176758D+01
      3  -0.351966D+01 -0.642518D+00  0.165139D+01 -0.246769D+01  0.182689D+01
               131           132           133           134           135 
      1  -0.176758D+01  0.182689D+01 -0.149322D+01  0.875970D+00 -0.331450D+01
      2  -0.204083D+01 -0.290771D+01  0.875970D+00 -0.302680D+01 -0.290769D+01
      3  -0.290771D+01 -0.257045D+01 -0.331450D+01 -0.290769D+01  0.136165D+01
               136           137           138           139           140 
      1   0.340671D+01  0.409794D+01 -0.116812D+01  0.465312D+01 -0.144369D+01
      2   0.409794D+01 -0.287690D+00  0.180586D+01 -0.144369D+01 -0.125784D+01
      3  -0.116812D+01  0.180586D+01 -0.234225D+01  0.156029D+01 -0.389383D+01
               141           142           143           144           145 
      1   0.156029D+01 -0.143134D+01  0.990626D+00 -0.244642D+01 -0.164132D+02
      2  -0.389383D+01  0.990626D+00 -0.300653D+01 -0.211990D+01 -0.379111D+01
      3  -0.205656D+01 -0.244642D+01 -0.211990D+01  0.123366D+01  0.888069D+00
               146           147           148           149           150 
      1  -0.379111D+01  0.888069D+00 -0.842078D+01 -0.691250D+00  0.384631D+00
      2   0.110622D+02 -0.152255D+01 -0.691250D+00 -0.590286D+01  0.594663D+00
      3  -0.152255D+01  0.407233D+00  0.384631D+00  0.594663D+00 -0.739509D+00
               151           152           153           154           155 
      1   0.254407D+01 -0.327033D-01  0.106198D+01  0.142041D+02 -0.595801D+00
      2  -0.327033D-01 -0.245744D+00 -0.113965D+01 -0.595801D+00 -0.105894D+02
      3   0.106198D+01 -0.113965D+01  0.399294D+00 -0.402506D+00  0.634618D+00
               156           157           158           159           160 
      1  -0.402506D+00 -0.556851D+01 -0.502687D+01 -0.444741D+00  0.132755D+01
      2   0.634618D+00 -0.502687D+01 -0.280459D+01 -0.106765D+00 -0.670105D+00
      3   0.243629D+00 -0.444741D+00 -0.106765D+00 -0.319928D+00 -0.165634D+01
               161           162           163           164           165 
      1  -0.670105D+00 -0.165634D+01 -0.360085D+00 -0.195638D+01 -0.574443D+00
      2   0.102841D+01 -0.267913D+01 -0.195638D+01 -0.663269D+00  0.220479D+01
      3  -0.267913D+01  0.867966D+00 -0.574443D+00  0.220479D+01  0.321100D+01
               166           167           168           169           170 
      1  -0.103824D+02 -0.218199D+01  0.250000D+01  0.885514D+00  0.509577D+01
      2  -0.218199D+01  0.119908D+01 -0.166669D+01  0.509577D+01 -0.501762D+00
      3   0.250000D+01 -0.166669D+01 -0.157980D+01  0.541361D+01  0.144621D+01
               171           172           173           174           175 
      1   0.541361D+01  0.156059D+01  0.505251D+01  0.154818D+01  0.842954D+01
      2   0.144621D+01  0.505251D+01  0.405302D+00 -0.171251D+01 -0.888606D+00
      3   0.264263D+01  0.154818D+01 -0.171251D+01 -0.384712D+01 -0.190936D+01
               176           177           178           179           180 
      1  -0.888606D+00 -0.190936D+01  0.393061D+01 -0.112242D+01 -0.467404D+01
      2  -0.184694D+01  0.327640D+01 -0.112242D+01  0.325235D+01 -0.254421D+01
      3   0.327640D+01 -0.288691D+01 -0.467404D+01 -0.254421D+01 -0.107200D+01
               181           182           183           184           185 
      1   0.251240D+01 -0.168217D-02 -0.293736D+00 -0.104244D+01  0.445206D+01
      2  -0.168217D-02  0.324490D+01  0.952095D+00  0.445206D+01  0.790482D+00
      3  -0.293736D+00  0.952095D+00  0.184940D+01  0.110856D+01 -0.206190D+01
               186           187           188           189           190 
      1   0.110856D+01  0.735397D+00  0.136084D+01  0.409252D+01 -0.165276D+02
      2  -0.206190D+01  0.136084D+01  0.282638D+00  0.303852D+01 -0.651811D+01
      3   0.406492D+01  0.409252D+01  0.303852D+01  0.283790D+00  0.397365D+00
               191           192           193           194           195 
      1  -0.651811D+01  0.397365D+00 -0.251026D+01 -0.447848D+01 -0.626024D-01
      2  -0.112101D+02  0.105108D+01 -0.447848D+01 -0.165979D+02  0.233527D+01
      3   0.105108D+01 -0.149837D+01 -0.626024D-01  0.233527D+01 -0.152482D+01
               196           197           198           199           200 
      1   0.197545D+00  0.252441D+00 -0.377684D+01  0.772363D+01  0.941632D+00
      2   0.252441D+00  0.198481D+01 -0.199407D+01  0.941632D+00 -0.427398D+00
      3  -0.377684D+01 -0.199407D+01  0.811549D+00  0.165720D+01  0.510970D+00
               201           202           203           204           205 
      1   0.165720D+01  0.159805D+00 -0.226170D+01 -0.217613D+00 -0.158807D+01
      2   0.510970D+00 -0.226170D+01  0.677481D+00  0.293150D+00 -0.774362D+00
      3  -0.180291D+01 -0.217613D+00  0.293150D+00 -0.341797D+01 -0.230533D+01
               206           207           208           209           210 
      1  -0.774362D+00 -0.230533D+01  0.315062D+00  0.355129D+01  0.162724D+01
      2  -0.101547D+01 -0.341620D+01  0.355129D+01  0.353483D+01 -0.412325D+00
      3  -0.341620D+01  0.333241D+00  0.162724D+01 -0.412325D+00 -0.327403D+01
               211           212           213           214           215 
      1   0.525702D+01  0.510826D+01  0.543876D+00 -0.270358D+01 -0.325513D+01
      2   0.510826D+01 -0.437328D+00  0.219155D+01 -0.325513D+01 -0.236922D+00
      3   0.543876D+00  0.219155D+01  0.106203D+01 -0.478947D+01  0.182956D+00
               216           217           218           219           220 
      1  -0.478947D+01 -0.340614D+01 -0.410030D+01 -0.117811D+01 -0.465219D+01
      2   0.182956D+00 -0.410030D+01  0.302063D+00  0.179405D+01  0.145896D+01
      3  -0.186243D+01 -0.117811D+01  0.179405D+01  0.233694D+01  0.154548D+01
               221           222           223           224           225 
      1   0.145896D+01  0.154548D+01 -0.144342D+01  0.977396D+00  0.243853D+01
      2   0.124519D+01 -0.389371D+01  0.977396D+00 -0.300784D+01  0.213320D+01
      3  -0.389371D+01  0.207119D+01  0.243853D+01  0.213320D+01  0.124073D+01
               226           227           228           229           230 
      1  -0.153130D+01 -0.443752D+01 -0.654288D+00 -0.670538D+01  0.176548D+01
      2  -0.443752D+01  0.181236D+00  0.164443D+01  0.176548D+01  0.203931D+01
      3  -0.654288D+00  0.164443D+01  0.246206D+01  0.181667D+01 -0.290055D+01
               231           232           233           234           235 
      1   0.181667D+01 -0.150223D+01  0.867535D+00  0.330511D+01  0.170823D+01
      2  -0.290055D+01  0.867535D+00 -0.302328D+01  0.291799D+01  0.493617D+01
      3   0.258165D+01  0.330511D+01  0.291799D+01  0.137203D+01  0.361568D+00
               236           237           238           239           240 
      1   0.493617D+01  0.361568D+00  0.416881D+01  0.156742D+01 -0.154160D+01
      2   0.167104D+01 -0.160837D+01  0.156742D+01  0.138894D+00  0.171450D+01
      3  -0.160837D+01 -0.299866D+01 -0.154160D+01  0.171450D+01  0.421295D+00
               241           242           243           244           245 
      1   0.429455D+00 -0.179863D+01 -0.285639D+01  0.104529D+02 -0.487633D+01
      2  -0.179863D+01  0.188477D+01  0.700623D+00 -0.487633D+01  0.521700D+01
      3  -0.285639D+01  0.700623D+00 -0.353638D+01  0.704026D+00 -0.416623D+00
               246           247           248           249           250 
      1   0.704026D+00  0.860792D+01  0.159648D+02 -0.217801D+01 -0.282822D+01
      2  -0.416623D+00  0.159648D+02  0.267206D+02 -0.326419D+01 -0.246079D+01
      3   0.126229D+01 -0.217801D+01 -0.326419D+01  0.249148D+01  0.229488D+01
               251           252           253           254           255 
      1  -0.246079D+01  0.229488D+01  0.676634D+00  0.479897D+01 -0.345904D+00
      2  -0.351612D+01  0.482024D+01  0.479897D+01  0.338738D+01 -0.193490D+00
      3   0.482024D+01 -0.180192D+01 -0.345904D+00 -0.193490D+00  0.114541D+01
               256           257           258           259           260 
      1  -0.854891D+00 -0.100309D+02  0.168238D+01  0.202499D+01  0.149583D+01
      2  -0.100309D+02 -0.417545D+01  0.580632D+00  0.149583D+01 -0.799947D+00
      3   0.168238D+01  0.580632D+00  0.304358D+00  0.852278D+00 -0.715380D+00
               261           262           263           264           265 
      1   0.852278D+00 -0.282128D+01 -0.874223D+00  0.156622D+01  0.141719D+01
      2  -0.715380D+00 -0.874223D+00 -0.432842D+01  0.944900D-02  0.499809D+00
      3  -0.406521D+00  0.156622D+01  0.944900D-02 -0.950436D+00 -0.543826D+00
               266           267           268           269           270 
      1   0.499809D+00 -0.543826D+00  0.147373D+01  0.499939D+00 -0.149463D+01
      2   0.441184D+01  0.110785D+01  0.499939D+00  0.416589D+01  0.133120D+01
      3   0.110785D+01  0.598606D+00 -0.149463D+01  0.133120D+01  0.361124D+01
               271           272           273           274           275 
      1  -0.260834D+01  0.102528D+02 -0.172000D+01  0.112244D+02 -0.150795D+01
      2   0.102528D+02  0.373177D+01 -0.805171D+00 -0.150795D+01  0.185283D+01
      3  -0.172000D+01 -0.805171D+00  0.349510D+00  0.658789D+00 -0.478928D-01
               276           277           278           279           280 
      1   0.658789D+00 -0.336134D+01  0.330608D+00  0.184659D+01 -0.343706D+01
      2  -0.478928D-01  0.330608D+00  0.327896D+00  0.113888D+01 -0.115972D+01
      3   0.149242D+00  0.184659D+01  0.113888D+01 -0.353595D+00 -0.141070D+01
               281           282           283           284           285 
      1  -0.115972D+01 -0.141070D+01  0.239647D+00 -0.376681D+00  0.735906D-01
      2  -0.451833D+01  0.100099D+01 -0.376681D+00  0.165829D+01 -0.124714D+01
      3   0.100099D+01 -0.142420D+01  0.735906D-01 -0.124714D+01  0.183451D+00
               286           287           288           289           290 
      1  -0.174037D+01 -0.394071D+00 -0.165901D+01  0.276473D+01  0.210631D+01
      2  -0.394071D+00 -0.247715D+01  0.117000D+01  0.210631D+01  0.187450D+01
      3  -0.165901D+01  0.117000D+01 -0.344256D+01 -0.523300D+00 -0.363254D+00
               291           292           293           294           295 
      1  -0.523300D+00  0.141124D+01  0.272714D+01 -0.348270D+00 -0.398611D+00
      2  -0.363254D+00  0.272714D+01  0.591551D+01 -0.930918D+00 -0.415614D+00
      3   0.697020D+00 -0.348270D+00 -0.930918D+00  0.732031D+00  0.814065D+00
               296           297           298           299           300 
      1  -0.415614D+00  0.814065D+00 -0.276811D+01 -0.210755D+01 -0.523786D+00
      2  -0.678494D+00  0.145121D+01 -0.210755D+01 -0.187438D+01 -0.363273D+00
      3   0.145121D+01 -0.908830D+00 -0.523786D+00 -0.363273D+00 -0.698382D+00
               301           302           303           304           305 
      1  -0.141439D+01 -0.272607D+01 -0.350221D+00 -0.399458D+00 -0.415579D+00
      2  -0.272607D+01 -0.590846D+01 -0.930583D+00 -0.415579D+00 -0.677792D+00
      3  -0.350221D+00 -0.930583D+00 -0.733759D+00 -0.814938D+00 -0.145026D+01
               306           307           308           309           310 
      1  -0.814938D+00  0.344054D+01  0.115942D+01 -0.140950D+01 -0.242305D+00
      2  -0.145026D+01  0.115942D+01  0.451836D+01  0.100188D+01  0.376995D+00
      3  -0.909847D+00 -0.140950D+01  0.100188D+01  0.142367D+01  0.745471D-01
               311           312           313           314           315 
      1   0.376995D+00  0.745471D-01 -0.174059D+01 -0.392803D+00  0.165809D+01
      2  -0.166152D+01 -0.124683D+01 -0.392803D+00 -0.247458D+01 -0.117024D+01
      3  -0.124683D+01 -0.182694D+00  0.165809D+01 -0.117024D+01 -0.343951D+01
               316           317           318           319           320 
      1  -0.470656D+01 -0.338319D+01 -0.136099D+01 -0.408817D+01 -0.446927D+01
      2  -0.338319D+01 -0.422602D+01 -0.872472D+00 -0.446927D+01 -0.623967D+01
      3  -0.136099D+01 -0.872472D+00 -0.102490D+01 -0.134903D+01 -0.198245D+01
               321           322           323           324           325 
      1  -0.134903D+01  0.319501D+00  0.146135D+00 -0.543652D+00  0.229715D+01
      2  -0.198245D+01  0.146135D+00 -0.110309D+01 -0.113273D+01 -0.130147D+01
      3  -0.161654D+01 -0.543652D+00 -0.113273D+01 -0.643464D+00 -0.190481D+01
               326           327           328           329           330 
      1  -0.130147D+01 -0.190481D+01 -0.627417D+00  0.178139D+00  0.359300D+00
      2   0.920354D+00  0.125452D+01  0.178139D+00 -0.148494D+01 -0.149467D+01
      3   0.125452D+01  0.342370D+01  0.359300D+00 -0.149467D+01 -0.117882D+01
               331           332           333           334           335 
      1  -0.103482D+01  0.597349D+00  0.173783D+01 -0.125977D+02 -0.407538D+00
      2   0.597349D+00 -0.135928D+01 -0.183731D+01 -0.407538D+00 -0.904900D+00
      3   0.173783D+01 -0.183731D+01 -0.488921D+01 -0.340637D+01 -0.104142D+00
               336           337           338           339           340 
      1  -0.340637D+01 -0.286632D+00 -0.109102D+01  0.317121D-01 -0.202701D+01
      2  -0.104142D+00 -0.109102D+01  0.310232D+00 -0.529370D+00 -0.130213D-01
      3  -0.213595D+01  0.317121D-01 -0.529370D+00  0.186738D+00 -0.180922D+01
               341           342           343           344           345 
      1  -0.130213D-01 -0.180922D+01 -0.367648D+00  0.424081D+00 -0.103181D+01
      2   0.292162D+00  0.116704D+00  0.424081D+00  0.690436D+00 -0.589607D+00
      3   0.116704D+00 -0.112907D+01 -0.103181D+01 -0.589607D+00  0.180425D+01
               346           347           348           349           350 
      1   0.608156D+00  0.197313D+00  0.266803D+00 -0.820073D+00  0.212804D+00
      2   0.197313D+00  0.181793D+01 -0.182934D+01  0.212804D+00 -0.164128D+01
      3   0.266803D+00 -0.182934D+01  0.297095D+01 -0.113127D+00  0.236515D+01
               351           352           353           354           355 
      1  -0.113127D+00 -0.384730D+01  0.287474D+01  0.392809D+00  0.350062D+01
      2   0.236515D+01  0.287474D+01 -0.156304D+01 -0.382811D+00 -0.252867D+01
      3  -0.622523D+01  0.392809D+00 -0.382811D+00 -0.925999D+00 -0.395602D+00
               356           357           358           359           360 
      1  -0.252867D+01 -0.395602D+00  0.731650D+00 -0.804831D+00 -0.136018D+01
      2   0.567574D+01  0.447477D+00 -0.804831D+00  0.424661D+00  0.809795D+00
      3   0.447477D+00  0.564943D+00 -0.136018D+01  0.809795D+00  0.520391D+00
               361           362           363           364           365 
      1   0.618588D+01  0.234998D+01  0.329296D+00  0.203761D+01  0.109053D+01
      2   0.234998D+01  0.136395D+01 -0.312568D+00  0.109053D+01  0.789124D+00
      3   0.329296D+00 -0.312568D+00  0.230619D+01 -0.371029D-01  0.656061D+00
               366           367           368           369           370 
      1  -0.371029D-01 -0.290296D+00 -0.279650D+00  0.132263D+01 -0.182290D+00
      2   0.656061D+00 -0.279650D+00  0.384349D+00  0.576066D+00 -0.350252D+00
      3   0.796903D+00  0.132263D+01  0.576066D+00 -0.504681D-01  0.102159D+01
               371           372           373           374           375 
      1  -0.350252D+00  0.102159D+01 -0.753379D+00 -0.727975D+00  0.558828D+00
      2  -0.951297D-01 -0.157165D+00 -0.727975D+00 -0.359552D+01  0.290932D+01
      3  -0.157165D+00 -0.474460D+00  0.558828D+00  0.290932D+01 -0.429523D+01
               376           377           378           379           380 
      1   0.100841D+01  0.335459D+00 -0.101892D+01 -0.330716D+01  0.190244D+01
      2   0.335459D+00  0.210709D+01 -0.266653D+01  0.190244D+01 -0.157772D+01
      3  -0.101892D+01 -0.266653D+01  0.507444D+01  0.238397D+01 -0.127728D+01
               381           382           383           384           385 
      1   0.238397D+01  0.262600D+01 -0.193446D+01 -0.185190D+01  0.146190D+01
      2  -0.127728D+01 -0.193446D+01  0.264551D+01  0.240460D+01 -0.883736D+00
      3  -0.290985D+01 -0.185190D+01  0.240460D+01  0.267329D+01 -0.209991D+01
               386           387           388           389           390 
      1  -0.883736D+00 -0.209991D+01 -0.282147D+01 -0.753446D+00 -0.162370D+01
      2   0.145615D+01  0.126685D+01 -0.753446D+00 -0.827168D+00 -0.776372D+00
      3   0.126685D+01  0.307598D+01 -0.162370D+01 -0.776372D+00 -0.143730D+01
               391           392           393           394           395 
      1  -0.805892D+00 -0.128981D+01 -0.815779D+00 -0.326404D+01 -0.127784D+01
      2  -0.128981D+01 -0.141947D+01 -0.635901D+00 -0.127784D+01 -0.101606D+01
      3  -0.815779D+00 -0.635901D+00 -0.121867D+01 -0.169668D+01 -0.120477D+01
               396           397           398           399           400 
      1  -0.169668D+01 -0.678582D+01  0.218545D+01  0.210586D+01  0.572065D+01
      2  -0.120477D+01  0.218545D+01 -0.126901D+01 -0.633397D+00 -0.211850D+01
      3  -0.383101D+01  0.210586D+01 -0.633397D+00 -0.152158D+01 -0.177517D+01
               401           402           403           404           405 
      1  -0.211850D+01 -0.177517D+01  0.282222D+01 -0.650484D+00 -0.228181D+01
      2   0.185692D+01  0.112922D+01 -0.650484D+00  0.940739D+00  0.339183D+00
      3   0.112922D+01  0.118505D+01 -0.228181D+01  0.339183D+00  0.150708D+01
               406           407           408           409           410 
      1  -0.100445D+01 -0.650879D+00  0.998005D+00 -0.196357D+01 -0.241445D+01
      2  -0.650879D+00 -0.412531D+00  0.193067D+00 -0.241445D+01 -0.472512D+01
      3   0.998005D+00  0.193067D+00 -0.498767D+00  0.121362D+01  0.277175D+01
               411           412           413           414           415 
      1   0.121362D+01  0.248876D+01  0.129706D+01 -0.192971D+01  0.314102D+01
      2   0.277175D+01  0.129706D+01  0.282259D+01 -0.258198D+01 -0.241225D+01
      3  -0.252196D+01 -0.192971D+01 -0.258198D+01  0.311183D+01 -0.111473D+01
               416           417           418           419           420 
      1  -0.241225D+01 -0.111473D+01 -0.183867D+01  0.164385D+01  0.631708D+00
      2   0.284774D+01  0.762375D+00  0.164385D+01 -0.370749D+01 -0.131799D+01
      3   0.762375D+00  0.145075D+01  0.631708D+00 -0.131799D+01 -0.697852D+00
               421           422           423           424           425 
      1  -0.173054D+01  0.104634D+01  0.142545D+01 -0.476075D+01 -0.382863D+01
      2   0.104634D+01 -0.276893D+01 -0.126940D+01 -0.382863D+01 -0.485076D+01
      3   0.142545D+01 -0.126940D+01 -0.138999D+01  0.420122D+00  0.811852D+00
               426           427           428           429           430 
      1   0.420122D+00 -0.287611D+01 -0.322235D+01  0.517388D+00 -0.303210D-01
      2   0.811852D+00 -0.322235D+01 -0.577926D+01  0.454371D+00  0.377585D+00
      3  -0.688743D+00  0.517388D+00  0.454371D+00 -0.715613D+00 -0.529528D+00
               431           432           433           434           435 
      1   0.377585D+00 -0.529528D+00  0.127597D+01 -0.794371D+00  0.125988D+01
      2  -0.109084D+00 -0.102056D+01 -0.794371D+00  0.959305D+00 -0.486800D+00
      3  -0.102056D+01  0.639399D+00  0.125988D+01 -0.486800D+00  0.206278D+01
               436           437           438           439           440 
      1   0.772791D-01  0.496564D+00  0.380940D-01  0.117463D+01 -0.471761D+00
      2   0.496564D+00  0.755741D-01  0.870447D+00 -0.471761D+00  0.199136D+01
      3   0.380940D-01  0.870447D+00 -0.252875D+00  0.156705D+01 -0.184603D+01
               441           442           443           444           445 
      1   0.156705D+01  0.175015D+00  0.349654D+00  0.101817D+01  0.749557D+00
      2  -0.184603D+01  0.349654D+00  0.851852D-01 -0.162428D+00  0.719140D+00
      3   0.618414D+01  0.101817D+01 -0.162428D+00  0.464565D+00  0.551401D+00
               446           447           448           449           450 
      1   0.719140D+00  0.551401D+00  0.100386D+01  0.329666D+00  0.100945D+01
      2   0.360387D+01  0.290890D+01  0.329666D+00  0.210436D+01  0.266392D+01
      3   0.290890D+01  0.429320D+01  0.100945D+01  0.266392D+01  0.506451D+01
               451           452           453           454           455 
      1  -0.618801D+01 -0.235309D+01  0.323305D+00 -0.204135D+01 -0.109401D+01
      2  -0.235309D+01 -0.136764D+01 -0.317160D+00 -0.109401D+01 -0.789478D+00
      3   0.323305D+00 -0.317160D+00 -0.230355D+01 -0.403163D-01  0.654080D+00
               456           457           458           459           460 
      1  -0.403163D-01 -0.300478D+00 -0.285451D+00 -0.132279D+01  0.330372D+01
      2   0.654080D+00 -0.285451D+00  0.381395D+00 -0.580224D+00 -0.189705D+01
      3  -0.800363D+00 -0.132279D+01 -0.580224D+00 -0.590521D-01  0.238433D+01
               461           462           463           464           465 
      1  -0.189705D+01  0.238433D+01 -0.261995D+01  0.192725D+01 -0.185076D+01
      2   0.157172D+01 -0.127825D+01  0.192725D+01 -0.263996D+01  0.240433D+01
      3  -0.127825D+01  0.291530D+01 -0.185076D+01  0.240433D+01 -0.267588D+01
               466           467           468           469           470 
      1   0.146485D+01 -0.884411D+00  0.210470D+01  0.100025D+01  0.650523D+00
      2  -0.884411D+00  0.145910D+01 -0.127146D+01  0.650523D+00  0.410296D+00
      3   0.210470D+01 -0.127146D+01  0.309225D+01  0.996297D+00  0.191415D+00
               471           472           473           474           475 
      1   0.996297D+00  0.196362D+01  0.241345D+01  0.121359D+01  0.248473D+01
      2   0.191415D+00  0.241345D+01  0.472642D+01  0.277395D+01  0.129469D+01
      3   0.499002D+00  0.121359D+01  0.277395D+01  0.252279D+01  0.193082D+01
               476           477           478           479           480 
      1   0.129469D+01  0.193082D+01  0.676606D+01 -0.218537D+01  0.210875D+01
      2   0.282130D+01  0.258134D+01 -0.218537D+01  0.126745D+01 -0.636055D+00
      3   0.258134D+01  0.311348D+01  0.210875D+01 -0.636055D+00  0.152315D+01
               481           482           483           484           485 
      1  -0.571596D+01  0.211894D+01 -0.178132D+01  0.282653D+01 -0.654141D+00
      2   0.211894D+01 -0.185915D+01  0.113412D+01 -0.654141D+00  0.943808D+00
      3  -0.178132D+01  0.113412D+01 -0.119105D+01  0.228700D+01 -0.343240D+00
               486           487           488           489           490 
      1   0.228700D+01  0.283623D+01  0.756405D+00 -0.162727D+01  0.806594D+00
      2  -0.343240D+00  0.756405D+00  0.828316D+00 -0.775988D+00  0.129004D+01
      3   0.151634D+01 -0.162727D+01 -0.775988D+00  0.144001D+01 -0.815642D+00
               491           492           493           494           495 
      1   0.129004D+01 -0.815642D+00 -0.326819D+01 -0.127715D+01  0.169849D+01
      2   0.141627D+01 -0.632821D+00 -0.127715D+01 -0.101256D+01  0.120040D+01
      3  -0.632821D+00  0.121434D+01  0.169849D+01  0.120040D+01 -0.382530D+01
               496           497           498           499           500 
      1   0.126064D+02  0.399800D+00 -0.339553D+01  0.279892D+00  0.109078D+01
      2   0.399800D+00  0.903104D+00 -0.101666D+00  0.109078D+01 -0.311215D+00
      3  -0.339553D+01 -0.101666D+00  0.212850D+01  0.342719D-01 -0.527736D+00
               501           502           503           504           505 
      1   0.342719D-01 -0.201351D+01 -0.102226D-01  0.180316D+01  0.371047D+00
      2  -0.527736D+00 -0.102226D-01  0.293711D+00 -0.118548D+00 -0.425065D+00
      3  -0.187527D+00  0.180316D+01 -0.118548D+00 -0.112078D+01 -0.102919D+01
               506           507           508           509           510 
      1  -0.425065D+00 -0.102919D+01 -0.609647D+00 -0.195020D+00  0.269540D+00
      2  -0.689356D+00 -0.587786D+00 -0.195020D+00 -0.181933D+01 -0.183208D+01
      3  -0.587786D+00 -0.179972D+01  0.269540D+00 -0.183208D+01 -0.297088D+01
               511           512           513           514           515 
      1  -0.818856D+00  0.215241D+00  0.118193D+00 -0.228702D+01  0.130053D+01
      2   0.215241D+00 -0.164363D+01 -0.236684D+01  0.130053D+01 -0.917518D+00
      3   0.118193D+00 -0.236684D+01 -0.622714D+01 -0.190125D+01  0.125389D+01
               516           517           518           519           520 
      1  -0.190125D+01  0.627087D+00 -0.176524D+00  0.359154D+00 -0.103096D+01
      2   0.125389D+01 -0.176524D+00  0.148432D+01 -0.149609D+01  0.596655D+00
      3  -0.342390D+01  0.359154D+00 -0.149609D+01  0.118316D+01 -0.173633D+01
               521           522           523           524           525 
      1   0.596655D+00 -0.173633D+01  0.471438D+01  0.338574D+01 -0.136060D+01
      2  -0.136036D+01  0.184096D+01  0.338574D+01  0.422701D+01 -0.871851D+00
      3   0.184096D+01 -0.490417D+01 -0.136060D+01 -0.871851D+00  0.102390D+01
               526           527           528           529           530 
      1   0.409226D+01  0.446877D+01 -0.134886D+01  0.322951D+00  0.146957D+00
      2   0.446877D+01  0.623072D+01 -0.197808D+01  0.146957D+00 -0.109857D+01
      3  -0.134886D+01 -0.197808D+01  0.161484D+01  0.541961D+00  0.113183D+01
               531           532           533           534           535 
      1   0.541961D+00  0.383656D+01 -0.287254D+01  0.393697D+00 -0.349830D+01
      2   0.113183D+01 -0.287254D+01  0.156574D+01 -0.385125D+00  0.252842D+01
      3  -0.642588D+00  0.393697D+00 -0.385125D+00  0.925488D+00 -0.398749D+00
               536           537           538           539           540 
      1   0.252842D+01 -0.398749D+00  0.731831D+00 -0.807431D+00  0.136072D+01
      2  -0.567067D+01  0.449409D+00 -0.807431D+00  0.427807D+00 -0.811218D+00
      3   0.449409D+00 -0.565623D+00  0.136072D+01 -0.811218D+00  0.524997D+00
               541           542           543           544           545 
      1   0.476705D+01  0.383179D+01  0.422694D+00  0.287627D+01  0.322112D+01
      2   0.383179D+01  0.485179D+01  0.812639D+00  0.322112D+01  0.577074D+01
      3   0.422694D+00  0.812639D+00  0.688475D+00  0.518137D+00  0.454180D+00
               546           547           548           549           550 
      1   0.518137D+00 -0.256102D-01  0.380316D+00  0.530144D+00 -0.312500D+01
      2   0.454180D+00  0.380316D+00 -0.105084D+00  0.102236D+01  0.241114D+01
      3   0.715450D+00  0.530144D+00  0.102236D+01  0.639114D+00 -0.111425D+01
               551           552           553           554           555 
      1   0.241114D+01 -0.111425D+01  0.183722D+01 -0.163943D+01  0.633742D+00
      2  -0.284208D+01  0.765974D+00 -0.163943D+01  0.371611D+01 -0.132320D+01
      3   0.765974D+00 -0.145255D+01  0.633742D+00 -0.132320D+01  0.702771D+00
               556           557           558           559           560 
      1  -0.172855D+01  0.104825D+01 -0.142660D+01 -0.128045D+01  0.795068D+00
      2   0.104825D+01 -0.277598D+01  0.127613D+01  0.795068D+00 -0.962773D+00
      3  -0.142660D+01  0.127613D+01 -0.139918D+01  0.126283D+01 -0.488789D+00
               561           562           563           564           565 
      1   0.126283D+01 -0.762393D-01 -0.498338D+00  0.364224D-01  0.117780D+01
      2  -0.488789D+00 -0.498338D+00 -0.743404D-01  0.872172D+00 -0.473481D+00
      3  -0.206537D+01  0.364224D-01  0.872172D+00  0.255877D+00 -0.157076D+01
               566           567 
      1  -0.473481D+00 -0.157076D+01
      2   0.199445D+01  0.184588D+01
      3   0.184588D+01  0.617131D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.125156D+01 -0.744756D+01 -0.110165D+01 -0.397115D+01  0.119145D+01
      2  -0.858933D+01  0.149477D+01  0.169247D+02 -0.445223D+01  0.494720D+01
      3   0.629336D+01 -0.734423D+01 -0.313893D+01 -0.117165D+02  0.489135D+00
                 6             7             8             9            10 
      1  -0.358710D+01  0.849750D+00  0.614124D+01 -0.835763D+01  0.786738D+00
      2   0.206711D+02  0.119772D+02  0.213619D+02  0.583752D+01 -0.833350D+00
      3  -0.244786D+01  0.578059D+01  0.894413D+01 -0.219579D+02 -0.346004D+01
                11            12            13            14            15 
      1   0.619050D+01  0.117597D+01  0.132264D+01  0.542277D+00 -0.511811D+01
      2   0.315044D+01 -0.632664D+01  0.477766D+01 -0.112443D+02 -0.209422D+02
      3   0.182946D+02 -0.616308D+01  0.366696D+02  0.455262D+01  0.106937D+02
                16            17            18            19            20 
      1   0.486404D+01  0.607777D+01  0.357583D+01 -0.926464D-01 -0.697906D+01
      2  -0.235705D+02 -0.188116D+02  0.465685D+00  0.369075D+01  0.462657D+01
      3  -0.107425D+02 -0.633192D+01  0.186604D+02 -0.291576D+02 -0.578818D+02
                21            22            23            24            25 
      1   0.180724D+00  0.799786D+00 -0.264325D+01 -0.820570D+00  0.761364D+01
      2   0.567953D+01 -0.107738D+02  0.812807D+01  0.689125D+01  0.641758D+01
      3  -0.525060D+01  0.390574D+02 -0.718325D+02 -0.932943D+01  0.901330D+01
                26            27            28            29            30 
      1   0.313073D+01  0.147208D+01 -0.518718D+01 -0.369402D+01  0.180117D+01
      2   0.293514D+01  0.355642D+01 -0.137384D+02  0.113523D+01 -0.914946D+01
      3  -0.841613D+01 -0.131129D+02  0.515895D+02 -0.532148D+02 -0.622474D+01
                31            32            33            34            35 
      1   0.690378D+01 -0.534181D+01  0.566862D+01  0.383479D+01  0.554100D+01
      2   0.712061D+01 -0.341458D+01 -0.286581D+01 -0.941205D+01  0.749927D+01
      3  -0.679231D+02 -0.168328D+02 -0.240126D+01  0.882431D+00 -0.104289D+02
                36            37            38            39            40 
      1   0.357172D+00  0.541318D+01 -0.313844D+01  0.333927D+01 -0.690903D+01
      2   0.105383D+01 -0.551588D+01  0.103967D+02 -0.550853D+01  0.111259D+02
      3  -0.127477D+02 -0.985159D+01 -0.186815D+01 -0.108073D+02  0.204814D+02
                41            42            43            44            45 
      1   0.471371D+01 -0.109747D+02  0.108232D+02  0.158266D+02 -0.505927D+01
      2  -0.295248D+01  0.913819D+01 -0.342798D+02 -0.837794D+01  0.733897D+01
      3   0.119689D+02  0.138503D+02 -0.186421D+02  0.106550D+02 -0.550933D+01
                46            47            48            49            50 
      1  -0.106195D+01  0.368631D+01 -0.855017D+01  0.608927D+01 -0.812206D+01
      2   0.723598D+01 -0.693301D+01  0.205055D+02  0.610521D+00  0.348981D+01
      3   0.166665D+02  0.278643D+01  0.641024D+01  0.132585D+02 -0.136892D+02
                51            52            53            54            55 
      1  -0.315682D+01 -0.133895D+02  0.202975D+01  0.665310D+01 -0.688423D+01
      2  -0.535510D+01  0.205116D+02 -0.182284D+01  0.185110D+00  0.143822D+02
      3  -0.969986D+01  0.712855D+01 -0.486254D+01  0.148139D+02  0.261205D+02
                56            57            58            59            60 
      1   0.612617D+01 -0.562898D+01  0.701328D+01 -0.579106D+00 -0.719184D+00
      2  -0.327900D+01  0.221582D+02 -0.645538D+01  0.157343D+02  0.159612D+02
      3  -0.925031D+01  0.111655D+02 -0.183921D+02 -0.120904D+02 -0.218455D+02
                61            62            63            64            65 
      1  -0.674867D+01  0.584733D+01  0.418697D+01  0.576167D+01  0.555981D+01
      2   0.162437D+02  0.131480D+02 -0.962043D+01  0.174497D+02 -0.272005D+01
      3   0.107042D+02 -0.184825D+02 -0.930484D+01 -0.743204D+02  0.366773D+02
                66            67            68            69            70 
      1   0.174651D+01 -0.153831D+01  0.704396D+00 -0.434681D+01  0.253655D+01
      2   0.107405D+02  0.467965D+01  0.209087D+01  0.374879D+01  0.726073D+01
      3   0.906371D+01 -0.263258D+02 -0.269406D+02 -0.194483D+01 -0.794337D+01
                71            72            73            74            75 
      1  -0.557768D+01 -0.119828D+01  0.345941D-02  0.408948D-03  0.126385D+01
      2   0.315459D+01  0.134738D+01 -0.721516D-01  0.630812D-02 -0.149294D+02
      3   0.251970D+01 -0.285092D+01  0.165089D+02  0.329243D+02 -0.104687D-01
                76            77            78            79            80 
      1   0.766121D-01 -0.128298D-02  0.156493D+01  0.441482D+01  0.203338D+02
      2   0.144782D-01 -0.184045D-01  0.224701D+00 -0.856721D+02  0.261504D+01
      3   0.196141D+03 -0.166793D+02 -0.329202D-01 -0.410741D-01 -0.397987D-01
                81            82            83            84            85 
      1  -0.227149D-02  0.901106D+01  0.143368D+00 -0.190092D+01  0.202151D+01
      2   0.846886D-02 -0.172629D+02 -0.575967D+01  0.102715D+02  0.791189D+01
      3   0.874184D+00  0.127822D+03  0.191864D+02  0.669938D+01 -0.394425D+02
                86            87            88            89            90 
      1   0.166680D+01 -0.291388D+01 -0.133981D+02 -0.663755D+01 -0.983779D+00
      2   0.621622D+00 -0.161723D+01 -0.253156D+01 -0.398196D+01 -0.160919D+01
      3   0.133600D+02 -0.306074D+00 -0.117147D+02 -0.344952D+01  0.541788D+01
                91            92            93            94            95 
      1  -0.738120D+01  0.107337D+01 -0.925103D+00 -0.485897D+01  0.727803D+01
      2   0.128143D+02  0.300008D+01 -0.101245D+02 -0.628506D+01 -0.116860D+02
      3  -0.115744D+03  0.437130D+01 -0.255471D+01  0.705156D+02  0.145238D+03
                96            97            98            99           100 
      1  -0.133021D+01 -0.540034D+01  0.120715D+02  0.169626D+01  0.165989D+01
      2  -0.907990D+01 -0.256675D+02 -0.235474D+02 -0.701026D+01 -0.866324D+00
      3   0.184858D+02  0.138129D+02  0.217614D+02  0.241753D+02  0.169328D+02
               101           102           103           104           105 
      1   0.248799D+01 -0.327075D+01 -0.172462D+01 -0.442858D+01  0.470519D+00
      2  -0.108757D+01 -0.291084D+01  0.787268D+01  0.488214D+01 -0.719298D+00
      3   0.162627D+02  0.466291D+00 -0.480851D+02 -0.429669D+02 -0.703967D+01
               106           107           108           109           110 
      1   0.569468D+01  0.131820D+02  0.609985D+00  0.679054D+01 -0.901797D+00
      2  -0.771939D+01  0.485708D+01 -0.172653D+01  0.452844D+01 -0.198976D+00
      3  -0.105739D+02 -0.154753D+01  0.614851D+00 -0.122977D+02 -0.186615D+02
               111           112           113           114           115 
      1   0.392220D+01 -0.399615D+01  0.461390D+01 -0.473666D+01  0.507728D+01
      2   0.515226D+01 -0.172782D+01  0.268405D+01 -0.302135D+01  0.285598D+01
      3  -0.544263D+01  0.905939D+01  0.161476D+02 -0.222413D+01 -0.613837D+01
               116           117           118           119           120 
      1  -0.458166D+01  0.131931D+02 -0.456177D+01  0.626900D+01 -0.117132D+02
      2  -0.376136D+01  0.128467D+02  0.120746D+01 -0.693216D+00  0.115952D+02
      3  -0.155235D+02 -0.362174D+00  0.113325D+02 -0.195233D+02  0.638378D+01
               121           122           123           124           125 
      1   0.376224D+01 -0.833999D+01  0.465254D+00 -0.113227D+02  0.984154D+01
      2  -0.193206D+01  0.651259D+01 -0.398274D+00  0.672268D+01  0.111748D+00
      3  -0.797680D+01 -0.641030D+01 -0.129749D+02  0.977942D+01 -0.136571D+02
               126           127           128           129           130 
      1   0.146822D+02  0.557979D+01 -0.479878D+01  0.639683D+01 -0.873840D+01
      2  -0.131570D+02 -0.420080D+01  0.670542D+01 -0.150162D+02  0.725481D+01
      3   0.149441D+02 -0.284552D+02  0.842715D+01 -0.125711D+02  0.322149D+02
               131           132           133           134           135 
      1   0.206862D+01 -0.208996D+01  0.917220D+01  0.439767D+01 -0.618926D+01
      2  -0.169688D+02 -0.205056D+02 -0.277338D+02 -0.236531D+02  0.136687D+02
      3   0.119890D+02  0.249243D+02 -0.953523D+01  0.219585D+02  0.151007D+02
               136           137           138           139           140 
      1   0.141908D+02 -0.249529D+01  0.689648D+01 -0.656703D+01  0.631671D-01
      2  -0.191994D+02 -0.504060D+01 -0.287568D+01 -0.633027D+01 -0.162102D+02
      3  -0.187411D+02  0.706494D+00 -0.833245D+01  0.120344D+02  0.520269D+01
               141           142           143           144           145 
      1  -0.165456D+02  0.439096D+01 -0.692958D+01 -0.777525D+01 -0.574419D+01
      2  -0.147820D+02 -0.881816D+01 -0.123149D+02  0.129185D+02 -0.174738D+02
      3   0.181504D+02 -0.440156D+01  0.147260D+02  0.867259D+01 -0.743488D+02
               146           147           148           149           150 
      1  -0.552307D+01  0.174250D+01  0.150479D+01 -0.756802D+00 -0.433814D+01
      2   0.275080D+01  0.107392D+02 -0.471641D+01 -0.210125D+01  0.374885D+01
      3   0.366677D+02 -0.906681D+01 -0.263417D+02 -0.269133D+02  0.196886D+01
               151           152           153           154           155 
      1   0.255328D+01 -0.557055D+01  0.119940D+01  0.521244D+01  0.367469D+01
      2   0.727997D+01  0.314576D+01 -0.135890D+01  0.137868D+02 -0.115725D+01
      3   0.800707D+01 -0.247156D+01 -0.284693D+01  0.517300D+02 -0.532174D+02
               156           157           158           159           160 
      1   0.180646D+01 -0.693662D+01  0.539169D+01  0.565866D+01  0.385592D+01
      2  -0.914161D+01 -0.710265D+01  0.344246D+01 -0.286908D+01 -0.942795D+01
      3   0.622466D+01 -0.679209D+02 -0.168868D+02  0.241783D+01 -0.881716D+00
               161           162           163           164           165 
      1   0.553411D+01 -0.355049D+00 -0.544612D+01  0.312143D+01  0.333095D+01
      2   0.750206D+01 -0.107466D+01  0.556281D+01 -0.103792D+02 -0.548315D+01
      3   0.104628D+02 -0.127615D+02 -0.991209D+01 -0.185998D+01  0.108149D+02
               166           167           168           169           170 
      1   0.689786D+01 -0.470799D+01 -0.109503D+02  0.107960D+02  0.158512D+02
      2  -0.110968D+02  0.294717D+01  0.909503D+01 -0.342342D+02 -0.841470D+01
      3   0.204848D+02  0.119519D+02 -0.138403D+02  0.186863D+02 -0.106524D+02
               171           172           173           174           175 
      1   0.509621D+01  0.691329D+01 -0.611688D+01 -0.561574D+01 -0.698975D+01
      2  -0.739823D+01 -0.144379D+02  0.324262D+01  0.221013D+02  0.637581D+01
      3  -0.544581D+01  0.261745D+02 -0.924258D+01 -0.111431D+02 -0.183795D+02
               176           177           178           179           180 
      1   0.585160D+00 -0.746110D+00 -0.672163D+01  0.582143D+01 -0.420909D+01
      2  -0.157140D+02  0.160105D+02  0.161624D+02  0.131833D+02  0.969425D+01
      3  -0.120553D+02  0.218024D+02 -0.106393D+02  0.185014D+02 -0.937872D+01
               181           182           183           184           185 
      1  -0.791463D+00 -0.620354D+01  0.118221D+01 -0.132914D+01 -0.553191D+00
      2   0.871342D+00 -0.313866D+01 -0.630602D+01 -0.474608D+01  0.112061D+02
      3  -0.352339D+01  0.182923D+02  0.614544D+01  0.366743D+02  0.457697D+01
               186           187           188           189           190 
      1  -0.511422D+01  0.487140D+01  0.606877D+01 -0.358360D+01  0.843778D-01
      2  -0.209663D+02 -0.235586D+02 -0.188353D+02 -0.508690D+00 -0.368126D+01
      3  -0.106439D+02  0.107259D+02  0.638581D+01  0.186771D+02 -0.291658D+02
               191           192           193           194           195 
      1   0.696927D+01  0.181751D+00 -0.775586D+00  0.260507D+01 -0.815688D+00
      2  -0.461220D+01  0.568023D+01  0.107835D+02 -0.815489D+01  0.690768D+01
      3  -0.578836D+02  0.525091D+01  0.390841D+02 -0.718728D+02  0.932190D+01
               196           197           198           199           200 
      1   0.762084D+01  0.315136D+01 -0.146843D+01  0.123656D+01  0.744971D+01
      2   0.641147D+01  0.293511D+01 -0.356804D+01  0.850296D+01 -0.151737D+01
      3  -0.907675D+01  0.837789D+01 -0.131148D+02  0.633078D+01 -0.731570D+01
               201           202           203           204           205 
      1  -0.112525D+01  0.398009D+01 -0.117378D+01 -0.358453D+01  0.834326D+00
      2   0.169206D+02  0.443262D+01 -0.491205D+01  0.206800D+02  0.119853D+02
      3   0.317397D+01 -0.117152D+02  0.453460D+00  0.241021D+01 -0.573382D+01
               206           207           208           209           210 
      1   0.616028D+01  0.837056D+01  0.109574D+01 -0.368658D+01 -0.853031D+01
      2   0.213717D+02 -0.579803D+01 -0.728615D+01  0.691851D+01  0.204763D+02
      3  -0.896840D+01 -0.219494D+02  0.166873D+02  0.278234D+01 -0.643084D+01
               211           212           213           214           215 
      1  -0.609115D+01  0.812662D+01 -0.317425D+01 -0.133788D+02  0.201067D+01
      2  -0.619754D+00 -0.350430D+01 -0.532951D+01  0.204910D+02 -0.178479D+01
      3   0.132681D+02 -0.136633D+02  0.971626D+01 -0.716047D+01  0.488105D+01
               216           217           218           219           220 
      1  -0.669216D+01 -0.141926D+02  0.254595D+01  0.685139D+01  0.662097D+01
      2  -0.101175D+00  0.192465D+02  0.509909D+01 -0.283528D+01  0.638239D+01
      3   0.147630D+02 -0.187732D+02  0.773050D+00  0.828186D+01  0.121080D+02
               221           222           223           224           225 
      1  -0.110007D+00 -0.165348D+02  0.433962D+01 -0.692739D+01  0.781930D+01
      2   0.161717D+02 -0.148031D+02 -0.875152D+01 -0.123413D+02 -0.129352D+02
      3   0.514202D+01 -0.181645D+02  0.434639D+01 -0.147306D+02  0.874661D+01
               226           227           228           229           230 
      1  -0.560639D+01  0.478170D+01  0.638047D+01  0.870702D+01 -0.207086D+01
      2   0.427100D+01 -0.665956D+01 -0.149646D+02 -0.718749D+01  0.169305D+02
      3  -0.285256D+02  0.844471D+01  0.125492D+02  0.322278D+02  0.119863D+02
               231           232           233           234           235 
      1  -0.203864D+01  0.914646D+01  0.443964D+01  0.621542D+01  0.461745D+01
      2  -0.205700D+02 -0.276556D+02 -0.237104D+02 -0.137270D+02 -0.122795D+01
      3  -0.248589D+02  0.949189D+01 -0.219238D+02  0.151871D+02  0.114057D+02
               236           237           238           239           240 
      1  -0.625133D+01 -0.116856D+02 -0.374694D+01  0.834235D+01  0.432463D+00
      2   0.665892D+00  0.115604D+02  0.191348D+01 -0.651239D+01 -0.364081D+00
      3  -0.195102D+02 -0.640786D+01 -0.797850D+01 -0.639194D+01  0.129601D+02
               241           242           243           244           245 
      1  -0.113010D+02  0.980304D+01 -0.147489D+02  0.735008D+01 -0.105135D+01
      2   0.668503D+01  0.144682D+00  0.132051D+02 -0.128245D+02 -0.299377D+01
      3  -0.982269D+01  0.136182D+02  0.148783D+02 -0.115735D+03  0.430737D+01
               246           247           248           249           250 
      1  -0.918734D+00  0.484922D+01 -0.727788D+01 -0.133142D+01 -0.538677D+01
      2  -0.101214D+02  0.624398D+01  0.116934D+02 -0.909144D+01 -0.256309D+02
      3   0.256615D+01  0.703528D+02  0.145308D+03 -0.184794D+02 -0.137912D+02
               251           252           253           254           255 
      1   0.120810D+02 -0.169903D+01 -0.165931D+01 -0.249443D+01 -0.327226D+01
      2  -0.235430D+02  0.700436D+01  0.869524D+00  0.108039D+01 -0.291291D+01
      3  -0.217428D+02  0.241707D+02  0.169279D+02  0.162959D+02 -0.470787D+00
               256           257           258           259           260 
      1   0.171738D+01  0.442996D+01  0.469267D+00  0.568368D+01  0.131814D+02
      2  -0.786606D+01 -0.488403D+01 -0.725513D+00 -0.772719D+01  0.485593D+01
      3  -0.480527D+02 -0.429960D+02  0.703832D+01  0.105772D+02  0.156971D+01
               261           262           263           264           265 
      1  -0.617324D+00 -0.679200D+01  0.902548D+00  0.392647D+01  0.399349D+01
      2   0.172098D+01 -0.452623D+01  0.205308D+00  0.515639D+01  0.173020D+01
      3   0.613712D+00 -0.123011D+02 -0.187069D+02  0.543880D+01  0.904205D+01
               266           267           268           269           270 
      1  -0.460965D+01 -0.474018D+01  0.507816D+01 -0.458041D+01 -0.131875D+02
      2  -0.267510D+01 -0.301684D+01  0.285719D+01 -0.376229D+01 -0.128444D+02
      3   0.160943D+02  0.221263D+01  0.612383D+01  0.155031D+02 -0.363672D+00
               271           272           273           274           275 
      1  -0.900354D+01 -0.138776D+00 -0.190915D+01 -0.204287D+01 -0.163729D+01
      2   0.172801D+02  0.574369D+01  0.102784D+02 -0.788526D+01 -0.612445D+00
      3   0.127856D+03  0.192220D+02 -0.670755D+01 -0.393783D+02  0.133670D+02
               276           277           278           279           280 
      1  -0.291839D+01 -0.133962D+02 -0.665439D+01  0.985791D+00  0.729830D+01
      2  -0.161743D+01 -0.255624D+01 -0.398942D+01  0.160680D+01  0.408014D+00
      3   0.324685D+00  0.116828D+02  0.344473D+01  0.542734D+01 -0.146181D+02
               281           282           283           284           285 
      1   0.229422D+01  0.449945D+01 -0.185086D+01  0.128922D+01 -0.116887D+01
      2  -0.310877D+01  0.561113D+01  0.462709D+00  0.251839D+01 -0.103593D+01
      3  -0.210966D+02 -0.127603D+01  0.241372D+01  0.425429D+01 -0.412807D+01
               286           287           288           289           290 
      1   0.566356D+01  0.104400D+00  0.112484D+02  0.173786D+00 -0.284348D+00
      2   0.196435D+01 -0.287956D+01  0.107589D+02  0.403390D+01  0.225012D+01
      3  -0.503444D+01 -0.100162D+02 -0.175429D+01  0.248499D+02  0.123417D+02
               291           292           293           294           295 
      1  -0.352060D+01 -0.808530D+00 -0.119718D+01 -0.600264D+01 -0.296522D+01
      2  -0.130634D+00  0.306156D+01  0.417249D+01 -0.106456D+01 -0.352156D+01
      3  -0.310400D+01  0.223645D+02  0.275778D+02 -0.410260D+01 -0.440590D+01
               296           297           298           299           300 
      1  -0.309300D+01  0.291578D+01 -0.174260D+00  0.280496D+00 -0.352177D+01
      2  -0.407929D+01  0.268151D+01 -0.403885D+01 -0.225343D+01 -0.138183D+00
      3  -0.335849D+01  0.800878D+01  0.248597D+02  0.123285D+02  0.311040D+01
               301           302           303           304           305 
      1   0.805967D+00  0.119469D+01 -0.599647D+01 -0.296803D+01 -0.309191D+01
      2  -0.306300D+01 -0.416497D+01 -0.107083D+01 -0.352254D+01 -0.407453D+01
      3   0.223669D+02  0.275501D+02  0.409193D+01  0.440518D+01  0.335428D+01
               306           307           308           309           310 
      1  -0.291675D+01 -0.729733D+01 -0.229290D+01  0.449918D+01  0.185799D+01
      2  -0.268366D+01 -0.398603D+00  0.311508D+01  0.561196D+01 -0.458203D+00
      3   0.800610D+01 -0.146316D+02 -0.210886D+02  0.127183D+01  0.242081D+01
               311           312           313           314           315 
      1  -0.127718D+01 -0.117301D+01  0.565997D+01  0.996700D-01 -0.112404D+02
      2  -0.251752D+01 -0.103298D+01  0.195993D+01 -0.287965D+01 -0.107481D+02
      3   0.425995D+01  0.411679D+01  0.503667D+01  0.999656D+01 -0.175566D+01
               316           317           318           319           320 
      1   0.140194D+01  0.554648D+01 -0.233262D+01  0.196653D+01  0.414023D+01
      2  -0.151370D+01 -0.131584D+01  0.487550D+01  0.114417D+01  0.373283D+01
      3  -0.416969D+01 -0.137343D+02 -0.126058D+01 -0.897517D+01 -0.196141D+02
               321           322           323           324           325 
      1  -0.396718D+01  0.214537D+00  0.230665D+00  0.901431D+00 -0.223515D+01
      2   0.718800D+01  0.816981D+00  0.472701D+01  0.253287D+01  0.155891D+02
      3  -0.626879D+01 -0.585194D+00 -0.582254D+01 -0.427028D+01 -0.135975D+02
               326           327           328           329           330 
      1  -0.957517D-02  0.680422D+01 -0.100990D+00 -0.114106D+01 -0.123496D+01
      2  -0.742236D+01 -0.175669D+02 -0.288115D+01  0.764747D+01  0.592476D+01
      3   0.629532D+01  0.109731D+02  0.385750D+01 -0.720481D+01 -0.791617D+01
               331           332           333           334           335 
      1   0.304382D+01 -0.244375D+00 -0.813494D+01 -0.643157D+00  0.334790D+01
      2  -0.125232D+02  0.977809D+01  0.250085D+02 -0.401536D+01 -0.186562D+00
      3   0.644301D+01 -0.752590D+01 -0.137860D+02 -0.195590D-01 -0.847115D+01
               336           337           338           339           340 
      1  -0.796584D+00  0.280716D+01  0.100458D+01 -0.653807D+00 -0.211485D+00
      2   0.945737D+01 -0.126744D+01  0.653845D+00 -0.893255D+00  0.628706D+01
      3   0.639246D+00 -0.444339D+01  0.131442D+01 -0.262741D+01  0.122229D+01
               341           342           343           344           345 
      1   0.718786D+00 -0.157404D+01 -0.136317D+01 -0.267262D+01  0.135013D+01
      2  -0.101838D+01  0.355434D+01  0.648016D+01  0.417685D+01 -0.110981D+02
      3   0.789774D+00  0.130938D+01  0.245237D+01  0.349196D+01 -0.329070D+01
               346           347           348           349           350 
      1  -0.121858D+01 -0.595418D+01  0.337002D+01 -0.887467D+00  0.550095D+01
      2   0.849136D+00  0.109282D+02 -0.161854D+02 -0.350638D+01 -0.130428D+02
      3   0.313570D+01  0.112125D+02 -0.103149D+02  0.229509D+00 -0.884889D+01
               351           352           353           354           355 
      1  -0.664015D+01 -0.122680D+01 -0.253814D+00  0.178297D+01  0.116805D+01
      2   0.339736D+02 -0.262333D+01  0.183043D+01  0.613233D+01  0.256578D+01
      3   0.140671D+02  0.114495D+02 -0.852836D+01 -0.160302D+01 -0.917061D+01
               356           357           358           359           360 
      1  -0.882373D+00 -0.244147D+01  0.463082D-01  0.193347D+01 -0.993444D+00
      2  -0.239827D+01 -0.396027D+01  0.578791D+01 -0.388657D+01 -0.290731D+01
      3   0.315211D+02  0.209684D+01 -0.396149D+01  0.233750D+01  0.412515D+01
               361           362           363           364           365 
      1   0.753837D+01  0.352787D+01  0.754762D+00  0.461234D+01  0.368347D+01
      2  -0.240838D+02 -0.734471D+01 -0.796527D+01 -0.752356D+01 -0.695896D+01
      3   0.956954D+01  0.351376D+01 -0.162840D+01  0.580356D+01  0.325112D+01
               366           367           368           369           370 
      1   0.874622D+00  0.632683D+00  0.241979D+01  0.121007D+01 -0.390586D+00
      2  -0.260068D+01 -0.638931D+01 -0.141168D+01 -0.335606D+01 -0.499442D+01
      3   0.248445D+01 -0.106122D+01  0.137236D+01  0.198434D+01 -0.933770D+00
               371           372           373           374           375 
      1  -0.914957D+00 -0.847560D+00 -0.162290D+01 -0.118698D+02  0.425276D+01
      2   0.197035D+01  0.550119D+00  0.126430D+01 -0.122801D+02  0.194017D+02
      3  -0.878595D+00 -0.143627D+01 -0.964354D+00 -0.161133D+02  0.127015D+02
               376           377           378           379           380 
      1   0.240729D+00  0.751448D+01 -0.424446D+01  0.784657D+01 -0.655752D+01
      2   0.216582D+00  0.116067D+02 -0.215473D+02 -0.240258D+01  0.632757D+00
      3  -0.330797D+00  0.916086D+01 -0.112893D+02  0.933181D+01 -0.924583D+01
               381           382           383           384           385 
      1  -0.499018D+01 -0.708488D+01  0.111335D+02  0.729012D+01 -0.417972D+01
      2   0.955215D+01 -0.125707D+00 -0.703310D+01 -0.829038D+01  0.363109D+01
      3  -0.718266D+01 -0.751059D+01  0.144013D+02  0.117154D+02 -0.354854D+01
               386           387           388           389           390 
      1   0.638014D+01  0.558962D+01 -0.345727D+01 -0.158848D+01 -0.364519D+01
      2  -0.353385D+01 -0.932630D+01  0.126406D+02  0.597062D+01  0.129976D+02
      3   0.753336D+01  0.682382D+01  0.670009D-01 -0.503571D+01 -0.235592D+01
               391           392           393           394           395 
      1  -0.261351D+01 -0.191425D+01 -0.416465D+01 -0.371074D+01 -0.176033D+01
      2   0.576756D+01  0.541693D+01  0.100516D+02  0.121180D+02  0.929211D+01
      3  -0.579793D+01 -0.758092D+01 -0.357365D+01 -0.245630D+01 -0.622811D+01
               396           397           398           399           400 
      1  -0.956954D+01  0.631555D+01 -0.339148D+01 -0.263834D+01 -0.613520D+01
      2   0.317407D+02 -0.587071D+01  0.248377D+01  0.968228D+01  0.526677D+01
      3  -0.570006D+01  0.244089D+02 -0.142562D+02 -0.796385D+01 -0.218884D+02
               401           402           403           404           405 
      1   0.485645D+01  0.196834D+01 -0.454920D+01  0.262964D+01  0.254645D+01
      2  -0.517955D+01 -0.732006D+01  0.103545D+02 -0.149269D+01 -0.776053D+01
      3   0.179630D+02  0.106294D+02 -0.848745D+01  0.843452D+01  0.595611D+01
               406           407           408           409           410 
      1   0.896696D+00 -0.558395D+00 -0.689147D+00 -0.885554D+00 -0.221494D+01
      2  -0.592452D+01 -0.917564D+00  0.294023D+01 -0.480724D+01 -0.166530D+02
      3  -0.281010D+01 -0.300209D+01 -0.295261D+00 -0.109513D+02 -0.297456D+02
               411           412           413           414           415 
      1  -0.285778D+01 -0.165980D+01  0.814277D+00  0.306223D+01 -0.640088D+01
      2   0.167452D+02  0.802892D+01  0.160239D+02 -0.189980D+02  0.142129D+01
      3   0.173413D+02  0.339916D+01  0.184392D+02 -0.147078D+02 -0.244911D+02
               416           417           418           419           420 
      1   0.465427D+01  0.717357D+01  0.433679D+01 -0.716910D+01 -0.509807D+01
      2  -0.484913D+00 -0.242031D+01 -0.684696D+00  0.272132D+01  0.813233D+00
      3   0.188517D+02  0.814620D+01  0.164459D+02 -0.200014D+02 -0.790076D+01
               421           422           423           424           425 
      1   0.618851D+01 -0.494435D+01 -0.681498D+01 -0.985609D+00 -0.584786D-01
      2  -0.466080D+01  0.318833D+01  0.276210D+01  0.207544D+01 -0.296761D+00
      3   0.126403D+02 -0.139721D+02 -0.109675D+02  0.513966D+01 -0.586823D+01
               426           427           428           429           430 
      1  -0.357446D+01 -0.331123D+00 -0.265662D+01 -0.351770D+01 -0.147885D+01
      2   0.371132D+01  0.910677D+00  0.515012D+00  0.289309D+01  0.738649D+00
      3   0.169906D+01  0.125474D+01 -0.108132D+02 -0.356989D+00  0.121416D+01
               431           432           433           434           435 
      1  -0.227626D+01  0.167814D+01  0.405587D+01 -0.429087D+00  0.769577D+01
      2   0.302260D+01 -0.190779D+01 -0.660276D+01  0.209531D+01 -0.732255D+01
      3  -0.239979D+01 -0.215415D+01 -0.843450D+01  0.560304D+01 -0.728215D+01
               436           437           438           439           440 
      1   0.138219D+00  0.327770D+01 -0.389785D+00  0.559140D+01 -0.195309D+01
      2  -0.260986D+00 -0.326187D+01  0.113037D+01 -0.907811D+01  0.690567D+01
      3   0.310871D+01 -0.145735D+01  0.299416D+01 -0.800555D+01  0.824082D+01
               441           442           443           444           445 
      1   0.234334D+02  0.393637D+00  0.871420D+00 -0.852824D+00  0.159374D+01
      2  -0.211927D+02  0.500091D+01 -0.199858D+01  0.510850D+00 -0.129312D+01
      3  -0.146918D+02 -0.935639D+00 -0.830840D+00  0.145802D+01 -0.922301D+00
               446           447           448           449           450 
      1   0.119102D+02  0.424658D+01  0.231743D+00  0.750662D+01  0.424492D+01
      2   0.123024D+02  0.193996D+02  0.185438D+00  0.116014D+02  0.215163D+02
      3  -0.161383D+02 -0.126924D+02  0.358156D+00 -0.913851D+01 -0.112748D+02
               451           452           453           454           455 
      1  -0.754899D+01 -0.353210D+01  0.742157D+00 -0.462561D+01 -0.368609D+01
      2   0.240544D+02  0.732765D+01 -0.793198D+01  0.752295D+01  0.695782D+01
      3   0.957177D+01  0.352747D+01  0.164991D+01  0.581502D+01  0.324595D+01
               456           457           458           459           460 
      1   0.870325D+00  0.622574D+00  0.241695D+01 -0.121048D+01 -0.783139D+01
      2  -0.260078D+01 -0.636492D+01 -0.141383D+01  0.331838D+01  0.239869D+01
      3  -0.247391D+01  0.108798D+01 -0.135668D+01  0.199881D+01  0.929791D+01
               461           462           463           464           465 
      1   0.654612D+01 -0.500206D+01  0.706096D+01 -0.111115D+02  0.730159D+01
      2  -0.643080D+00  0.957013D+01  0.118895D+00  0.704080D+01 -0.829002D+01
      3  -0.922160D+01  0.718247D+01 -0.746227D+01  0.143739D+02 -0.116999D+02
               466           467           468           469           470 
      1  -0.418376D+01  0.639353D+01 -0.561786D+01 -0.888031D+00  0.560872D+00
      2   0.363628D+01 -0.354198D+01  0.938829D+01  0.591575D+01  0.904516D+00
      3   0.352975D+01 -0.758338D+01  0.683171D+01 -0.281156D+01 -0.298915D+01
               471           472           473           474           475 
      1  -0.688839D+00  0.894660D+00  0.223538D+01 -0.284132D+01 -0.165784D+01
      2   0.294133D+01  0.479744D+01  0.166609D+02  0.167455D+02  0.803535D+01
      3   0.301410D+00 -0.109433D+02 -0.297563D+02 -0.173552D+02 -0.339484D+01
               476           477           478           479           480 
      1   0.828254D+00 -0.305007D+01 -0.632105D+01  0.339873D+01 -0.264487D+01
      2   0.160182D+02  0.189988D+02  0.588673D+01 -0.249395D+01  0.968488D+01
      3  -0.184383D+02 -0.147032D+02  0.243591D+02 -0.142322D+02  0.797822D+01
               481           482           483           484           485 
      1   0.615085D+01 -0.487516D+01  0.198585D+01 -0.456033D+01  0.264584D+01
      2  -0.529549D+01  0.520723D+01 -0.735029D+01  0.103739D+02 -0.151635D+01
      3  -0.218719D+02  0.179736D+02 -0.106708D+02  0.850907D+01 -0.846315D+01
               486           487           488           489           490 
      1  -0.256292D+01  0.346283D+01  0.158738D+01 -0.365057D+01  0.261714D+01
      2   0.781567D+01 -0.126842D+02 -0.597431D+01  0.130300D+02 -0.577535D+01
      3   0.599005D+01  0.708185D-01 -0.504226D+01  0.234992D+01 -0.580270D+01
               491           492           493           494           495 
      1   0.190973D+01 -0.415126D+01 -0.371700D+01 -0.175218D+01  0.954664D+01
      2  -0.539933D+01  0.100226D+02  0.121527D+02  0.926309D+01 -0.317093D+02
      3  -0.756142D+01  0.355232D+01  0.245450D+01  0.621041D+01 -0.566461D+01
               496           497           498           499           500 
      1   0.646725D+00 -0.334442D+01 -0.792928D+00 -0.280322D+01 -0.100146D+01
      2   0.405203D+01  0.186587D+00  0.945379D+01  0.127078D+01 -0.647986D+00
      3   0.230750D-02 -0.846688D+01 -0.648136D+00 -0.444782D+01  0.131693D+01
               501           502           503           504           505 
      1  -0.657744D+00 -0.210075D+00  0.715016D+00  0.157066D+01  0.136322D+01
      2  -0.898189D+00  0.628463D+01 -0.102439D+01 -0.352481D+01 -0.645742D+01
      3   0.261898D+01 -0.123301D+01 -0.803840D+00  0.131687D+01  0.245857D+01
               506           507           508           509           510 
      1   0.266829D+01  0.134095D+01  0.120966D+01  0.594480D+01  0.336736D+01
      2  -0.416786D+01 -0.110734D+02 -0.835342D+00 -0.109409D+02 -0.161889D+02
      3   0.349232D+01  0.328391D+01  0.312253D+01  0.112330D+02  0.103391D+02
               511           512           513           514           515 
      1  -0.893519D+00  0.550572D+01  0.662391D+01  0.222694D+01  0.986553D-02
      2  -0.347718D+01 -0.130557D+02 -0.339918D+02 -0.155564D+02  0.742179D+01
      3  -0.243242D+00  0.887289D+01  0.140840D+02 -0.135584D+02  0.628402D+01
               516           517           518           519           520 
      1   0.680213D+01  0.100818D+00  0.114038D+01 -0.123861D+01  0.303447D+01
      2  -0.175809D+02  0.287580D+01 -0.765642D+01  0.594485D+01 -0.125156D+02
      3  -0.109598D+02  0.384547D+01 -0.720032D+01  0.792777D+01 -0.643634D+01
               521           522           523           524           525 
      1  -0.246152D+00  0.815221D+01 -0.141486D+01 -0.555110D+01 -0.232915D+01
      2   0.980220D+01 -0.250857D+02  0.152100D+01  0.131971D+01  0.487671D+01
      3   0.753074D+01 -0.138067D+02 -0.418404D+01 -0.137516D+02  0.126106D+01
               526           527           528           529           530 
      1  -0.197153D+01 -0.414541D+01 -0.396454D+01  0.219046D+00  0.225382D+00
      2  -0.114452D+01 -0.371733D+01  0.718500D+01  0.819234D+00  0.472870D+01
      3  -0.898905D+01 -0.195918D+02  0.624952D+01  0.594349D+00  0.580137D+01
               531           532           533           534           535 
      1  -0.904058D+00  0.122400D+01  0.255926D+00  0.178251D+01 -0.116559D+01
      2  -0.253059D+01  0.261678D+01 -0.184237D+01  0.612839D+01 -0.257417D+01
      3  -0.427443D+01  0.114342D+02 -0.853414D+01  0.161631D+01 -0.917071D+01
               536           537           538           539           540 
      1   0.871345D+00 -0.244209D+01  0.497527D-01  0.193037D+01  0.993163D+00
      2   0.240529D+01 -0.396289D+01  0.578616D+01 -0.389345D+01  0.292778D+01
      3   0.314799D+02 -0.210928D+01  0.396811D+01 -0.234828D+01  0.413181D+01
               541           542           543           544           545 
      1   0.965662D+00  0.438672D-01 -0.357429D+01  0.318194D+00  0.264330D+01
      2  -0.206141D+01  0.306847D+00  0.371099D+01 -0.899244D+00 -0.506557D+00
      3   0.514388D+01 -0.587374D+01 -0.169098D+01  0.125001D+01 -0.107996D+02
               546           547           548           549           550 
      1  -0.351691D+01 -0.147915D+01 -0.227844D+01 -0.168301D+01  0.638879D+01
      2   0.289410D+01  0.737715D+00  0.302809D+01  0.190957D+01 -0.144393D+01
      3   0.362812D+00 -0.120036D+01  0.239377D+01 -0.215903D+01 -0.244134D+02
               551           552           553           554           555 
      1  -0.465612D+01  0.717911D+01 -0.433765D+01  0.718240D+01 -0.511927D+01
      2   0.505392D+00 -0.243268D+01  0.701574D+00 -0.274765D+01  0.826953D+00
      3   0.188383D+02 -0.815812D+01  0.164371D+02 -0.200186D+02  0.793364D+01
               556           557           558           559           560 
      1   0.619208D+01 -0.496660D+01  0.685141D+01 -0.407129D+01  0.440380D+00
      2  -0.467537D+01  0.320844D+01 -0.279480D+01  0.661613D+01 -0.209987D+01
      3  -0.126369D+02  0.140127D+02 -0.109984D+02 -0.845740D+01  0.561667D+01
               561           562           563           564           565 
      1   0.770767D+01 -0.130045D+00 -0.328926D+01 -0.400012D+00  0.560686D+01
      2  -0.733502D+01  0.255929D+00  0.326592D+01  0.114168D+01 -0.908855D+01
      3   0.730430D+01  0.311801D+01 -0.146565D+01 -0.300695D+01  0.802543D+01
               566           567 
      1  -0.195020D+01 -0.233993D+02
      2   0.690878D+01  0.211538D+02
      3  -0.825740D+01 -0.147072D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.974485D+02 -0.136760D+02  0.264538D+02 -0.110315D+02  0.297793D+02
      2   0.577709D+02  0.164849D+02 -0.786885D+01  0.685240D+01 -0.186475D+02
      3   0.396776D+02 -0.280890D+01 -0.185850D+02  0.417907D+01 -0.111319D+02
      4  -0.928402D+01  0.119038D+02  0.622348D+01  0.224524D+02 -0.875931D+01
      5   0.369371D+02  0.734675D+01  0.124537D+02 -0.267147D+00 -0.273283D+01
      6   0.635845D-01 -0.491324D+01 -0.254772D+01 -0.498394D+01  0.235277D+01
                 6             7             8             9            10 
      1   0.969238D+01 -0.727594D+00  0.508061D+01  0.248822D+02 -0.675012D+01
      2   0.482052D+01  0.824529D+01  0.756817D+01 -0.847728D+01  0.664635D+01
      3  -0.145129D+02 -0.751769D+01 -0.126488D+02 -0.164049D+02  0.103764D+00
      4   0.280242D+01 -0.470601D+01 -0.346602D+01  0.318416D+02  0.869688D+01
      5   0.322778D+02  0.246520D+02  0.331064D+02 -0.417438D+01 -0.179300D+01
      6  -0.227723D-01  0.290756D+01  0.218146D+01 -0.113261D+02  0.231620D+01
                11            12            13            14            15 
      1   0.691387D+01 -0.608518D+01  0.162201D+02 -0.395074D+02  0.928738D+01
      2  -0.378461D+00  0.296852D+01 -0.356031D+01  0.221618D+02 -0.734577D+01
      3  -0.653541D+01  0.311666D+01 -0.126598D+02  0.173456D+02 -0.194161D+01
      4  -0.285869D+02  0.742603D+01 -0.468413D+02  0.365867D+01 -0.213262D+02
      5   0.119664D+02 -0.185890D+02  0.132880D+02 -0.189027D+02 -0.395436D+02
      6   0.236309D+01 -0.206639D+01 -0.105666D+01 -0.876861D+00 -0.683742D+01
                16            17            18            19            20 
      1   0.350317D+01  0.108071D+02 -0.297475D+02  0.712877D+02  0.532330D+02
      2  -0.703385D+01 -0.931334D+01  0.208808D+02 -0.479245D+02 -0.422403D+02
      3   0.353069D+01 -0.149377D+01  0.886671D+01 -0.233631D+02 -0.109928D+02
      4   0.781892D+01 -0.925236D+01 -0.299913D+02  0.407292D+02  0.770482D+02
      5  -0.455396D+02 -0.336903D+02  0.495224D+01 -0.379439D+01  0.290167D+01
      6  -0.599785D+01 -0.604163D+01  0.707698D+00 -0.122872D+01 -0.583477D+01
                21            22            23            24            25 
      1   0.337885D+01  0.142532D+02  0.317019D+02 -0.148330D+01 -0.429174D+01
      2  -0.260618D+01 -0.490605D+01 -0.119635D+02  0.151039D+01  0.273480D+01
      3  -0.772663D+00 -0.934713D+01 -0.197384D+02 -0.270878D-01  0.155695D+01
      4   0.709986D+01  0.291901D+02  0.959612D+02  0.147373D+02  0.607264D+00
      5   0.144913D+02 -0.329313D+01  0.124024D+02  0.156587D+02  0.305103D+02
      6  -0.549943D+00  0.117703D+01 -0.410954D+01  0.737038D+01 -0.501166D+00
                26            27            28            29            30 
      1   0.106950D+01  0.155023D+02 -0.724280D+01  0.229545D+02 -0.468132D+00
      2  -0.101112D+01 -0.171479D+02  0.514978D+00 -0.196580D+02 -0.175748D+01
      3  -0.583820D-01  0.164554D+01  0.672782D+01 -0.329647D+01  0.222561D+01
      4   0.127781D+02  0.112942D+02  0.459277D+01  0.454270D+02  0.745106D+00
      5   0.164760D+02  0.595578D+01 -0.680638D+01 -0.257847D+01 -0.128080D+02
      6   0.760737D+01  0.106748D+01 -0.108071D+02 -0.830101D+01  0.135910D+00
                31            32            33            34            35 
      1   0.501251D+02  0.467806D+02  0.939653D+00  0.786135D+01 -0.200404D+01
      2  -0.479096D+02 -0.469363D+02  0.952792D+00 -0.100894D+02 -0.301812D+01
      3  -0.221551D+01  0.155700D+00 -0.189245D+01  0.222809D+01  0.502215D+01
      4   0.282046D+02  0.186850D+02 -0.376469D+00 -0.845182D+01  0.223503D+01
      5  -0.912356D+01 -0.367747D+01  0.189914D+01  0.127201D+02  0.168790D+02
      6  -0.960313D+01 -0.733572D+01 -0.659538D+01  0.207848D+01  0.274328D+01
                36            37            38            39            40 
      1   0.420364D+01 -0.402920D+02  0.101344D+02 -0.126511D+02  0.521364D+02
      2  -0.115004D+02  0.437912D+02  0.245373D+01  0.122441D+02 -0.254216D+02
      3   0.729673D+01 -0.349917D+01 -0.125882D+02  0.406984D+00 -0.267148D+02
      4   0.145924D+02  0.143680D+02  0.155205D+02  0.138930D+02  0.268674D+02
      5   0.457230D+01 -0.631376D+01  0.222360D+02 -0.266335D+02  0.268220D+02
      6  -0.439803D+01  0.725945D+01  0.723673D+01 -0.716220D+01  0.543202D+01
                41            42            43            44            45 
      1   0.800057D+01  0.264076D+02 -0.104730D+02  0.295665D+02 -0.446769D+02
      2   0.671456D+00 -0.214987D+02  0.111409D+02 -0.245553D+02  0.319152D+02
      3  -0.867202D+01 -0.490892D+01 -0.667856D+00 -0.501122D+01  0.127617D+02
      4   0.336361D+00 -0.101662D+02  0.352353D+02  0.430527D+01 -0.200556D+02
      5  -0.131713D+02  0.161459D+02 -0.534201D+02 -0.157313D+02  0.208555D+02
      6  -0.472229D+01  0.368064D+01 -0.197182D+02 -0.633123D+01  0.150550D+02
                46            47            48            49            50 
      1   0.120309D+02 -0.191785D+02  0.234387D+02 -0.253947D+02 -0.362031D+02
      2  -0.153878D+02 -0.761621D+01 -0.343535D+01  0.129874D+01  0.159449D+02
      3   0.335690D+01  0.267947D+02 -0.200033D+02  0.240960D+02  0.202582D+02
      4  -0.323104D+02 -0.471046D+02  0.396006D+01 -0.561226D+02 -0.153947D+02
      5   0.135941D+02  0.331665D+01  0.202459D+02  0.962273D+01  0.253781D+02
      6   0.140235D+02  0.864053D+01  0.159208D+02  0.140459D+02  0.101639D+02
                51            52            53            54            55 
      1  -0.424289D+01  0.447954D+01 -0.219689D+02  0.425709D+02 -0.212861D+02
      2   0.304538D+01  0.589088D+01  0.138139D+02 -0.277505D+02 -0.639770D+01
      3   0.119751D+01 -0.103704D+02  0.815499D+01 -0.148204D+02  0.276838D+02
      4   0.189491D+02 -0.202208D+02 -0.527021D+01  0.978096D+01 -0.481489D+02
      5  -0.839365D+01  0.393507D+02  0.466932D+01 -0.260642D+02  0.105352D+02
      6  -0.851286D+01  0.218366D+02 -0.329752D+01 -0.573043D+01 -0.627107D+01
                56            57            58            59            60 
      1  -0.579276D+02  0.106904D+02 -0.779120D+02  0.108279D+02 -0.282957D+02
      2   0.356301D+02 -0.176701D+02  0.472812D+02 -0.149035D+02  0.150700D+02
      3   0.222974D+02  0.697968D+01  0.306307D+02  0.407560D+01  0.132257D+02
      4  -0.783928D+01 -0.140786D+02  0.555143D+01  0.134802D+02  0.278473D+02
      5  -0.228993D+02  0.382574D+02 -0.265479D+02  0.317667D+02  0.241741D+02
      6  -0.152072D+01  0.338391D+01  0.942278D+00  0.347217D+01  0.115530D+02
                61            62            63            64            65 
      1   0.280641D+02 -0.211984D+02  0.488348D+02  0.147822D+02 -0.207726D+01
      2  -0.258655D+02  0.139400D+02 -0.207227D+02 -0.147547D+02  0.374650D+01
      3  -0.219853D+01  0.725835D+01 -0.281121D+02 -0.275260D-01 -0.166924D+01
      4  -0.529861D+01  0.273322D+02  0.324180D+02  0.565984D+01 -0.465789D+02
      5   0.504670D+02  0.236984D+02 -0.261355D+00  0.708501D+01 -0.692570D+01
      6   0.791645D+01  0.908790D+01  0.397241D+01  0.830147D+01  0.588937D+01
                66            67            68            69            70 
      1   0.440400D+01  0.337027D+01 -0.154207D+02 -0.166920D+01  0.302256D+01
      2  -0.177175D+01 -0.274202D+01  0.178207D+02  0.889200D+00 -0.233261D+01
      3  -0.263225D+01 -0.628248D+00 -0.240000D+01  0.779999D+00 -0.689954D+00
      4  -0.717473D+01  0.123580D+02  0.241228D+02  0.225031D+01  0.134199D+01
      5   0.152385D+02  0.327795D+01  0.339118D+01  0.426897D+01  0.219379D+01
      6  -0.869183D+00  0.313935D+01  0.810987D+00  0.561994D+01  0.240454D+00
                71            72            73            74            75 
      1  -0.402285D+00 -0.362835D+01 -0.577043D+02  0.665058D+00  0.234184D-02
      2   0.466111D+00  0.758790D+00  0.299941D+02 -0.326120D+01  0.522593D-03
      3  -0.638255D-01  0.286956D+01  0.277102D+02  0.259615D+01 -0.286443D-02
      4  -0.101261D+01  0.390420D+01 -0.129099D+01 -0.255037D+02  0.834257D-02
      5   0.178206D+01  0.133340D+01  0.705423D-02  0.758250D-02 -0.226797D+02
      6   0.727598D+01  0.110009D+01  0.713489D-02  0.448423D-02 -0.368950D+01
                76            77            78            79            80 
      1  -0.171754D+01 -0.107843D+02 -0.446236D-02  0.132012D-01  0.625533D-02
      2   0.627779D+01  0.842830D+01  0.226882D-02 -0.188866D-01 -0.542980D-02
      3  -0.456026D+01  0.235596D+01  0.219354D-02  0.568540D-02 -0.825528D-03
      4  -0.171516D+02  0.163909D+02 -0.158014D-02  0.167505D-01  0.302706D-01
      5   0.362481D-02  0.998264D-03  0.249723D+01  0.650165D+01  0.180517D+01
      6  -0.330730D-02 -0.387461D-02  0.193233D+01  0.273834D+01  0.633572D+01
                81            82            83            84            85 
      1  -0.220918D+02 -0.387468D+02 -0.652662D+02 -0.126719D+02  0.496588D+01
      2  -0.814510D+00  0.329404D+02  0.569770D+02  0.764941D+01 -0.183176D+01
      3   0.229063D+02  0.580642D+01  0.828920D+01  0.502246D+01 -0.313412D+01
      4  -0.382299D+00 -0.436582D+02 -0.342506D+01 -0.276336D+01  0.197628D+02
      5   0.147866D-01 -0.570339D+01 -0.150080D+01  0.211988D+02  0.169907D+01
      6   0.325209D-02  0.108678D+02  0.237576D+01  0.109514D+02 -0.653014D+01
                86            87            88            89            90 
      1  -0.951389D+01 -0.821097D+00 -0.807597D+00  0.468032D+00 -0.850637D+01
      2   0.119888D+02  0.325613D+00 -0.119049D+01 -0.226073D+01  0.426570D+01
      3  -0.247487D+01  0.495484D+00  0.199809D+01  0.179269D+01  0.424067D+01
      4   0.181881D+01  0.700238D+00  0.281144D+01  0.295766D+01 -0.251000D+01
      5  -0.306733D+00 -0.198216D+01  0.119908D+01  0.189546D+01 -0.232237D+00
      6   0.242094D+01  0.388195D+01  0.402384D+01  0.888730D+01  0.192081D+01
                91            92            93            94            95 
      1  -0.168131D+01  0.204263D+02  0.495272D+01 -0.865863D+02 -0.979401D+02
      2  -0.895328D+01 -0.183545D+02 -0.236707D+01  0.757333D+02  0.718183D+02
      3   0.106346D+02 -0.207185D+01 -0.258565D+01  0.108530D+02  0.261217D+02
      4   0.288383D+02 -0.458956D+02 -0.394900D+01 -0.951997D+02 -0.154080D+03
      5   0.319538D+01 -0.369619D+01 -0.247812D+02 -0.101232D+02 -0.148131D+02
      6  -0.900121D+01  0.173557D+01 -0.748795D+01  0.859617D+01  0.502096D+01
                96            97            98            99           100 
      1  -0.104332D+02 -0.177402D+02 -0.141938D+02 -0.264438D+02 -0.226499D+02
      2   0.828969D+01  0.128391D+02  0.731786D+01  0.130127D+02  0.215590D+02
      3   0.214351D+01  0.490110D+01  0.687598D+01  0.134311D+02  0.109090D+01
      4  -0.183873D+02 -0.131893D+02 -0.201931D+02 -0.270317D+02 -0.291120D+02
      5  -0.210763D+02 -0.100855D+02 -0.260869D+02 -0.100435D+02 -0.101269D+01
      6  -0.201971D+00  0.483801D+01  0.126238D+02  0.250867D+01  0.317402D+00
               101           102           103           104           105 
      1  -0.209092D+02  0.187234D+00  0.297623D+02  0.469649D+02  0.912940D+01
      2   0.125156D+02 -0.261742D+01 -0.415769D+02 -0.381337D+02 -0.497532D+01
      3   0.839361D+01  0.243019D+01  0.118146D+02 -0.883119D+01 -0.415407D+01
      4  -0.236071D+02 -0.312011D+01  0.524865D+02  0.141310D+02  0.191094D+00
      5  -0.107737D+01 -0.130729D+02  0.939373D+01  0.556996D+00 -0.270906D+01
      6  -0.295534D+01  0.827271D+01 -0.990071D+01  0.688797D+00 -0.850628D+01
               106           107           108           109           110 
      1   0.986230D+01  0.238868D+01 -0.431806D+01  0.222467D+02  0.118105D+02
      2  -0.115269D+02  0.203538D+01  0.942249D-01 -0.120122D+02 -0.186330D+02
      3   0.166460D+01 -0.442406D+01  0.422384D+01 -0.102345D+02  0.682257D+01
      4   0.609366D+01 -0.926946D+01  0.112455D+02 -0.904268D+01  0.374238D+02
      5  -0.100274D+02  0.726920D+01 -0.151051D+01  0.125858D+02 -0.275700D+01
      6   0.728183D+01 -0.120734D+02  0.406999D+00 -0.109580D+02  0.253400D+01
               111           112           113           114           115 
      1   0.104331D+02 -0.483847D+01 -0.179470D+02  0.289054D+01  0.115245D+02
      2  -0.555467D+01  0.579680D+00  0.289338D+02 -0.733894D+01 -0.855070D+01
      3  -0.487843D+01  0.425879D+01 -0.109868D+02  0.444840D+01 -0.297383D+01
      4  -0.794506D+01  0.691340D+01 -0.349412D+02  0.949714D+01 -0.693841D+01
      5   0.112132D+02 -0.420856D+01  0.866890D+01 -0.521995D+01  0.141170D+02
      6  -0.795943D+01  0.427596D+01 -0.110860D+02  0.105779D+02 -0.113318D+02
               116           117           118           119           120 
      1   0.167560D+02  0.269312D-01  0.933941D+01 -0.302436D+02  0.640262D+01
      2  -0.209727D+02  0.519766D+00 -0.322945D+02  0.486728D+01 -0.198947D+02
      3   0.421673D+01 -0.546697D+00  0.229551D+02  0.253763D+02  0.134920D+02
      4   0.305535D+02 -0.161456D+02 -0.413208D+02 -0.430591D+02 -0.874786D+01
      5  -0.119266D+02  0.278210D+02 -0.499782D-01 -0.163528D+02  0.199714D+02
      6   0.172506D+02 -0.267998D+02 -0.230774D+00 -0.146927D+02  0.167618D+02
               121           122           123           124           125 
      1  -0.269641D+02 -0.186368D+02 -0.210062D+02  0.621486D+01 -0.203966D+02
      2   0.783677D+01  0.531871D+01  0.209516D+02 -0.173584D+02  0.258885D+02
      3   0.191274D+02  0.133181D+02  0.545971D-01  0.111436D+02 -0.549184D+01
      4  -0.367442D+02 -0.131551D+02  0.210679D+01 -0.853755D+01  0.270254D+01
      5  -0.157412D+02  0.780424D+01 -0.473493D+01  0.197541D+02 -0.335579D+01
      6  -0.113008D+02  0.133300D+02 -0.104953D+01  0.177214D+02 -0.446672D+01
               126           127           128           129           130 
      1   0.321727D+02  0.135204D+02  0.597444D+02 -0.736312D+01  0.856090D+02
      2  -0.104460D+02  0.484114D+01 -0.364300D+02  0.126784D+02 -0.538554D+02
      3  -0.217266D+02 -0.183616D+02 -0.233144D+02 -0.531524D+01 -0.317536D+02
      4   0.117826D+02  0.581142D+02 -0.656049D+00  0.215692D+02 -0.222233D+02
      5  -0.178027D+02 -0.683410D+01  0.266317D+02 -0.316911D+02  0.314860D+02
      6  -0.222793D+02  0.918516D+01  0.694935D+00 -0.284596D+01 -0.551901D+01
               131           132           133           134           135 
      1  -0.158639D+02  0.398598D+02 -0.117726D+02  0.300500D+02 -0.381599D+02
      2   0.960250D+01 -0.242155D+02  0.143402D+02 -0.183143D+02  0.871557D+01
      3   0.626138D+01 -0.156444D+02 -0.256759D+01 -0.117357D+02  0.294443D+02
      4  -0.222331D+02 -0.333563D+02  0.149090D+02 -0.320433D+02 -0.411183D+02
      5  -0.378072D+02 -0.275049D+02 -0.428970D+02 -0.327410D+02  0.115088D+02
      6  -0.127864D+02 -0.181198D+02 -0.843774D+01 -0.176463D+02 -0.280813D+01
               136           137           138           139           140 
      1   0.353914D+02  0.353301D+02 -0.592979D+01  0.436784D+02  0.316136D+00
      2  -0.919474D+01 -0.252574D+02  0.124826D+02 -0.296079D+02  0.131372D+02
      3  -0.261966D+02 -0.100726D+02 -0.655276D+01 -0.140704D+02 -0.134533D+02
      4   0.393586D+02 -0.375734D+01  0.177389D+02 -0.135830D+02 -0.752924D+01
      5   0.137046D+01  0.305811D+02 -0.279371D+02  0.318108D+02 -0.393380D+02
      6   0.158037D+02 -0.510991D+01  0.566446D+01 -0.108522D+02 -0.885917D+01
               141           142           143           144           145 
      1   0.306058D+02 -0.661181D+01  0.231940D+02 -0.260679D+02  0.148048D+02
      2  -0.109277D+02  0.142582D+02 -0.595783D+01  0.460385D+01 -0.147690D+02
      3  -0.196781D+02 -0.764639D+01 -0.172362D+02  0.214641D+02 -0.358758D-01
      4  -0.353139D+02  0.102122D+02 -0.257523D+02 -0.199472D+02  0.569826D+01
      5  -0.948210D+01 -0.286328D+02 -0.132910D+02  0.276322D+00 -0.709522D+01
      6  -0.280821D+02  0.157224D+01 -0.202938D+02 -0.102044D+02 -0.830632D+01
               146           147           148           149           150 
      1  -0.206219D+01 -0.443664D+01  0.335938D+01 -0.154121D+02  0.168433D+01
      2   0.375411D+01  0.176178D+01 -0.273651D+01  0.178041D+02 -0.897961D+00
      3  -0.169192D+01  0.267486D+01 -0.622874D+00 -0.239199D+01 -0.786371D+00
      4  -0.465713D+02  0.718408D+01  0.123592D+02  0.240995D+02 -0.226410D+01
      5   0.692648D+01  0.152443D+02 -0.328353D+01 -0.340305D+01  0.426968D+01
      6  -0.585785D+01 -0.867490D+00 -0.313983D+01 -0.842869D+00  0.561974D+01
               151           152           153           154           155 
      1  -0.302016D+01  0.415053D+00 -0.363612D+01 -0.730993D+01  0.228918D+02
      2   0.232329D+01 -0.463192D+00  0.757394D+00  0.554359D+00 -0.196232D+02
      3   0.696869D+00  0.481393D-01  0.287873D+01  0.675557D+01 -0.326861D+01
      4  -0.134452D+01  0.961827D+00  0.390308D+01  0.453429D+01  0.454330D+02
      5   0.218737D+01  0.177767D+01 -0.133699D+01  0.680014D+01  0.257681D+01
      6   0.247593D+00  0.726473D+01 -0.111702D+01  0.107923D+02  0.826807D+01
               156           157           158           159           160 
      1   0.485792D+00  0.500400D+02  0.468137D+02 -0.915391D+00 -0.789857D+01
      2   0.176545D+01 -0.478560D+02 -0.469686D+02 -0.969701D+00  0.101180D+02
      3  -0.225125D+01 -0.218402D+01  0.154882D+00  0.188509D+01 -0.221948D+01
      4  -0.757012D+00  0.282407D+02  0.187842D+02  0.409522D+00  0.847575D+01
      5  -0.128053D+02  0.914018D+01  0.368536D+01  0.190965D+01  0.127074D+02
      6   0.137839D+00  0.963399D+01  0.735558D+01 -0.659001D+01  0.208564D+01
               161           162           163           164           165 
      1   0.200389D+01  0.419216D+01 -0.403470D+02  0.101742D+02  0.127123D+02
      2   0.303787D+01 -0.114922D+02  0.438140D+02  0.243989D+01 -0.122700D+02
      3  -0.504176D+01  0.730004D+01 -0.346698D+01 -0.126141D+02 -0.442313D+00
      4  -0.225866D+01  0.146113D+02  0.143792D+02  0.155157D+02 -0.138598D+02
      5   0.169077D+02 -0.459710D+01  0.641035D+01 -0.222086D+02 -0.265680D+02
      6   0.275127D+01  0.439673D+01 -0.723861D+01 -0.722759D+01 -0.713451D+01
               166           167           168           169           170 
      1   0.521314D+02  0.797752D+01 -0.263981D+02  0.105438D+02 -0.295351D+02
      2  -0.253953D+02  0.698071D+00  0.214775D+02 -0.111616D+02  0.245319D+02
      3  -0.267361D+02 -0.867560D+01  0.492063D+01  0.617815D+00  0.500324D+01
      4   0.268552D+02  0.334144D+00  0.101328D+02 -0.352400D+02 -0.434941D+01
      5  -0.268071D+02  0.131398D+02  0.160428D+02 -0.533008D+02 -0.158037D+02
      6  -0.544041D+01  0.472442D+01  0.364774D+01 -0.197019D+02 -0.637722D+01
               171           172           173           174           175 
      1  -0.445597D+02 -0.211043D+02 -0.579997D+02 -0.108440D+02 -0.779790D+02
      2   0.318112D+02 -0.653458D+01  0.356538D+02  0.177111D+02  0.472827D+02
      3   0.127485D+02  0.276389D+02  0.223459D+02 -0.686716D+01  0.306963D+02
      4  -0.201182D+02 -0.481798D+02 -0.785832D+01  0.139974D+02  0.554027D+01
      5  -0.209857D+02 -0.106977D+02  0.228258D+02  0.382040D+02  0.264199D+02
      6  -0.151118D+02  0.625429D+01  0.150090D+01  0.338571D+01 -0.964975D+00
               176           177           178           179           180 
      1   0.108347D+02  0.281598D+02 -0.282232D+02  0.210997D+02  0.487213D+02
      2  -0.148790D+02 -0.149715D+02  0.258916D+02 -0.138678D+02 -0.205949D+02
      3   0.404432D+01 -0.131883D+02  0.233158D+01 -0.723195D+01 -0.281264D+02
      4   0.134669D+02 -0.278160D+02  0.518265D+01 -0.273315D+02  0.325040D+02
      5  -0.317273D+02  0.243241D+02  0.503713D+02  0.238068D+02  0.448334D+00
      6  -0.346592D+01  0.115573D+02  0.791889D+01  0.909149D+01 -0.395852D+01
               181           182           183           184           185 
      1  -0.677855D+01  0.701335D+01  0.616353D+01  0.163329D+02 -0.395397D+02
      2   0.665133D+01 -0.445486D+00 -0.301858D+01 -0.362722D+01  0.221844D+02
      3   0.127216D+00 -0.656786D+01 -0.314496D+01 -0.127057D+02  0.173554D+02
      4   0.878157D+01 -0.286033D+02 -0.739323D+01 -0.468654D+02  0.360805D+01
      5   0.189877D+01 -0.119272D+02 -0.185375D+02 -0.132161D+02  0.188129D+02
      6  -0.230279D+01 -0.236470D+01 -0.206096D+01  0.104324D+01  0.880071D+00
               186           187           188           189           190 
      1  -0.920157D+01 -0.337628D+01 -0.107714D+02 -0.296928D+02  0.711963D+02
      2   0.731853D+01  0.697622D+01  0.932602D+01  0.208536D+02 -0.478836D+02
      3   0.188304D+01 -0.359995D+01  0.144536D+01  0.883918D+01 -0.233127D+02
      4   0.212470D+02 -0.778362D+01  0.917899D+01 -0.300355D+02  0.406846D+02
      5  -0.395822D+02 -0.454942D+02 -0.337384D+02 -0.502644D+01  0.377442D+01
      6  -0.684029D+01 -0.600607D+01 -0.604999D+01 -0.729370D+00  0.123538D+01
               191           192           193           194           195 
      1   0.531931D+02 -0.337996D+01  0.142478D+02  0.316908D+02  0.147830D+01
      2  -0.422470D+02  0.261344D+01 -0.491594D+01 -0.119792D+02 -0.150116D+01
      3  -0.109461D+02  0.766517D+00 -0.933181D+01 -0.197116D+02  0.228564D-01
      4   0.770603D+02 -0.708514D+01  0.291567D+02  0.960097D+02 -0.147518D+02
      5  -0.289693D+01  0.144935D+02  0.331600D+01 -0.123894D+02  0.156761D+02
      6   0.582654D+01 -0.553748D+00 -0.120587D+01  0.408221D+01  0.738181D+01
               196           197           198           199           200 
      1   0.431584D+01 -0.999012D+00  0.154877D+02 -0.973203D+02 -0.137644D+02
      2  -0.275002D+01  0.946605D+00 -0.171437D+02  0.577551D+02  0.165660D+02
      3  -0.156582D+01  0.524062D-01  0.165601D+01  0.395652D+02 -0.280156D+01
      4  -0.541873D+00 -0.127194D+02  0.112866D+02 -0.938819D+01  0.118822D+02
      5   0.305053D+02  0.164712D+02 -0.594760D+01 -0.371249D+02 -0.743032D+01
      6  -0.501567D+00  0.761486D+01 -0.107016D+01 -0.100507D+00  0.491609D+01
               201           202           203           204           205 
      1  -0.266186D+02 -0.111201D+02  0.297521D+02 -0.978520D+01  0.500991D+00
      2   0.795897D+01  0.692966D+01 -0.186446D+02 -0.477685D+01 -0.812815D+01
      3   0.186596D+02  0.419039D+01 -0.111076D+02  0.145620D+02  0.762716D+01
      4  -0.629145D+01  0.224394D+02 -0.869132D+01 -0.274930D+01  0.464845D+01
      5   0.123424D+02  0.176124D+00  0.279855D+01  0.322526D+02  0.245507D+02
      6  -0.256073D+01  0.499105D+01 -0.233752D+01  0.250374D-02  0.289535D+01
               206           207           208           209           210 
      1  -0.516576D+01  0.247970D+02  0.121036D+02 -0.191278D+02 -0.234698D+02
      2  -0.752302D+01 -0.844894D+01 -0.153972D+02 -0.765669D+01  0.347834D+01
      3   0.126888D+02 -0.163481D+02  0.329356D+01  0.267845D+02  0.199915D+02
      4   0.352013D+01  0.318363D+02 -0.322805D+02 -0.471230D+02 -0.399764D+01
      5   0.330861D+02  0.423686D+01 -0.136424D+02 -0.332785D+01  0.201444D+02
      6   0.220261D+01  0.113357D+02 -0.140684D+02 -0.866544D+01  0.158903D+02
               211           212           213           214           215 
      1  -0.253044D+02 -0.361470D+02  0.425293D+01 -0.459461D+01  0.219385D+02
      2   0.123034D+01  0.158858D+02 -0.308016D+01 -0.582063D+01 -0.138419D+02
      3   0.240741D+02  0.202612D+02 -0.117278D+01  0.104152D+02 -0.809659D+01
      4  -0.561254D+02 -0.154889D+02 -0.189853D+02  0.201684D+02  0.522321D+01
      5  -0.960674D+01 -0.254079D+02 -0.835225D+01  0.392321D+02  0.471878D+01
      6  -0.140613D+02 -0.102182D+02 -0.851102D+01  0.218116D+02 -0.327787D+01
               216           217           218           219           220 
      1   0.424131D+02  0.354256D+02  0.354493D+02  0.603554D+01  0.437900D+02
      2  -0.276971D+02 -0.918032D+01 -0.252754D+02 -0.124787D+02 -0.295978D+02
      3  -0.147160D+02 -0.262453D+02 -0.101739D+02  0.644317D+01 -0.141922D+02
      4   0.981842D+01  0.394020D+02 -0.388343D+01 -0.176344D+02 -0.137299D+02
      5   0.261715D+02 -0.130289D+01 -0.305053D+02 -0.279197D+02 -0.316985D+02
      6   0.581195D+01 -0.157912D+02  0.520367D+01  0.559380D+01  0.109500D+02
               221           222           223           224           225 
      1   0.125355D+00 -0.305161D+02  0.676359D+01 -0.231239D+02 -0.260107D+02
      2   0.132423D+02  0.107985D+02 -0.142815D+02  0.586314D+01  0.453558D+01
      3  -0.133677D+02  0.197175D+02  0.751794D+01  0.172607D+02  0.214751D+02
      4  -0.744372D+01  0.353490D+02 -0.100873D+02  0.257805D+02 -0.200908D+02
      5   0.394171D+02 -0.969275D+01 -0.286082D+02 -0.134784D+02 -0.390893D+00
      6   0.879536D+01 -0.280820D+02  0.151439D+01 -0.203032D+02  0.102748D+02
               226           227           228           229           230 
      1   0.133287D+02  0.598823D+02  0.754201D+01  0.857917D+02 -0.158727D+02
      2   0.499167D+01 -0.364823D+02 -0.127329D+02 -0.539214D+02  0.957982D+01
      3  -0.183204D+02 -0.234001D+02  0.519093D+01 -0.318703D+02  0.629284D+01
      4   0.582188D+02 -0.622515D+00 -0.214622D+02 -0.221769D+02 -0.222308D+02
      5   0.700754D+01 -0.265457D+02 -0.316318D+02 -0.313515D+02  0.377177D+02
      6  -0.914789D+01 -0.685080D+00 -0.286299D+01  0.551341D+01  0.127763D+02
               231           232           233           234           235 
      1  -0.397306D+02  0.119463D+02 -0.299319D+02 -0.380172D+02  0.946298D+01
      2   0.241214D+02 -0.143791D+02  0.182414D+02  0.859114D+01 -0.323887D+02
      3   0.156092D+02  0.243276D+01  0.116906D+02  0.294261D+02  0.229257D+02
      4   0.332706D+02 -0.147735D+02  0.319960D+02 -0.412441D+02 -0.412153D+02
      5  -0.276709D+02 -0.427948D+02 -0.328887D+02 -0.116598D+02 -0.300587D-01
      6  -0.181158D+02 -0.846272D+01 -0.176623D+02  0.278963D+01  0.181643D+00
               236           237           238           239           240 
      1  -0.302004D+02 -0.646567D+01 -0.269455D+02 -0.186390D+02  0.209836D+02
      2   0.483921D+01  0.199136D+02  0.780899D+01  0.526293D+01 -0.209075D+02
      3   0.253612D+02 -0.134479D+02  0.191365D+02  0.133761D+02 -0.760977D-01
      4  -0.430665D+02  0.867139D+01 -0.367810D+02 -0.132245D+02 -0.209733D+01
      5   0.163321D+02  0.199326D+02  0.157388D+02 -0.777611D+01 -0.466322D+01
      6   0.146762D+02  0.167066D+02  0.112884D+02 -0.133047D+02 -0.980557D+00
               241           242           243           244           245 
      1  -0.628541D+01  0.203442D+02  0.321034D+02 -0.168065D+01  0.204865D+02
      2   0.173700D+02 -0.258520D+02 -0.102938D+02 -0.896040D+01 -0.183870D+02
      3  -0.110846D+02  0.550777D+01 -0.218096D+02  0.106410D+02 -0.209948D+01
      4   0.844157D+01 -0.270794D+01  0.118049D+02  0.289174D+02 -0.457960D+02
      5   0.197203D+02 -0.329940D+01  0.179096D+02 -0.319900D+01  0.370286D+01
      6   0.176652D+02 -0.438440D+01  0.223670D+02  0.901490D+01 -0.172860D+01
               246           247           248           249           250 
      1  -0.493079D+01 -0.864652D+02 -0.979045D+02  0.104233D+02  0.177094D+02
      2   0.235849D+01  0.756630D+02  0.718452D+02 -0.829086D+01 -0.128291D+02
      3   0.257230D+01  0.108023D+02  0.260593D+02 -0.213239D+01 -0.488030D+01
      4   0.396578D+01 -0.951139D+02 -0.154170D+03  0.183981D+02  0.131728D+02
      5  -0.247660D+02  0.101126D+02  0.148135D+02 -0.210833D+02 -0.100693D+02
      6  -0.749331D+01 -0.856180D+01 -0.497775D+01 -0.212035D+00  0.483286D+01
               251           252           253           254           255 
      1   0.141702D+02 -0.264244D+02 -0.226108D+02 -0.209241D+02 -0.183278D+00
      2  -0.731594D+01  0.130086D+02  0.215450D+02  0.125384D+02  0.261815D+01
      3  -0.685430D+01  0.134158D+02  0.106577D+01  0.838579D+01 -0.243487D+01
      4   0.201586D+02 -0.270327D+02 -0.291291D+02 -0.236327D+02  0.310988D+01
      5  -0.260895D+02  0.100294D+02  0.102379D+01  0.107297D+01 -0.130783D+02
      6   0.126236D+02 -0.249444D+01 -0.323701D+00  0.296686D+01  0.827557D+01
               256           257           258           259           260 
      1   0.296948D+02  0.469617D+02 -0.913178D+01 -0.986501D+01 -0.241173D+01
      2  -0.415326D+02 -0.381450D+02  0.497150D+01  0.115424D+02 -0.202434D+01
      3   0.118378D+02 -0.881674D+01  0.416028D+01 -0.167742D+01  0.443607D+01
      4   0.524758D+02  0.141632D+02 -0.181965D+00 -0.611802D+01  0.926447D+01
      5  -0.938663D+01 -0.551560D+00 -0.271750D+01 -0.100343D+02  0.726917D+01
      6   0.990140D+01 -0.691975D+00 -0.850246D+01  0.728602D+01 -0.120712D+02
               261           262           263           264           265 
      1  -0.432435D+01  0.222593D+02  0.118135D+02 -0.104350D+02 -0.481563D+01
      2   0.104027D+00 -0.120170D+02 -0.186596D+02  0.555170D+01  0.561225D+00
      3   0.422032D+01 -0.102423D+02  0.684612D+01  0.488325D+01  0.425441D+01
      4   0.112460D+02 -0.907998D+01  0.374871D+02  0.795099D+01  0.693786D+01
      5   0.149234D+01 -0.125915D+02  0.276221D+01  0.112203D+02  0.420272D+01
      6  -0.395973D+00  0.109607D+02 -0.254792D+01 -0.796770D+01 -0.427621D+01
               266           267           268           269           270 
      1  -0.178968D+02 -0.288461D+01 -0.115152D+02 -0.167233D+02  0.391849D-01
      2   0.288899D+02  0.733657D+01  0.854044D+01  0.209520D+02  0.513013D+00
      3  -0.109932D+02 -0.445196D+01  0.297477D+01 -0.422871D+01 -0.552198D+00
      4  -0.348887D+02 -0.948522D+01  0.696247D+01 -0.305362D+02 -0.161524D+02
      5  -0.866294D+01 -0.521655D+01  0.141249D+02 -0.119327D+02 -0.278177D+02
      6   0.110822D+02  0.105757D+02 -0.113408D+02  0.172503D+02  0.267891D+02
               271           272           273           274           275 
      1  -0.387199D+02 -0.652917D+02  0.126518D+02  0.494845D+01 -0.955749D+01
      2   0.329284D+02  0.570061D+02 -0.764494D+01 -0.182713D+01  0.120331D+02
      3   0.579146D+01  0.828560D+01 -0.500682D+01 -0.312132D+01 -0.247557D+01
      4  -0.436955D+02 -0.349924D+01  0.275118D+01  0.197629D+02  0.179956D+01
      5   0.570294D+01  0.149901D+01  0.212005D+02 -0.169394D+01  0.309841D+00
      6  -0.108752D+02 -0.238472D+01  0.109609D+02  0.652811D+01 -0.241074D+01
               276           277           278           279           280 
      1   0.825560D+00  0.810932D+00 -0.484586D+00 -0.850712D+01  0.324869D+02
      2  -0.327615D+00  0.118945D+01  0.226833D+01  0.427065D+01 -0.236185D+02
      3  -0.497944D+00 -0.200038D+01 -0.178374D+01  0.423647D+01 -0.886839D+01
      4  -0.699091D+00 -0.283203D+01 -0.295231D+01 -0.251667D+01 -0.118166D+02
      5  -0.198032D+01  0.120401D+01  0.189169D+01  0.236538D+00  0.186862D+02
      6   0.388655D+01  0.402833D+01  0.889497D+01 -0.191594D+01 -0.978848D+01
               281           282           283           284           285 
      1   0.149491D+02  0.773318D+01  0.233915D+01 -0.417215D+01  0.526688D+01
      2  -0.193179D+02 -0.526463D+01 -0.509401D+01  0.847989D+01 -0.720605D+01
      3   0.436886D+01 -0.246855D+01  0.275486D+01 -0.430774D+01  0.193917D+01
      4   0.364591D+02 -0.155140D+02  0.949109D+01 -0.174645D+02  0.102459D+02
      5  -0.918295D+01  0.184532D+02 -0.142413D+01  0.105874D+02 -0.183329D+01
      6   0.747923D+01 -0.101875D+02  0.307452D+01 -0.914755D+01  0.757156D+01
               286           287           288           289           290 
      1   0.125420D+02  0.103884D+02  0.119045D+01 -0.213973D+02 -0.217487D+02
      2  -0.138209D+02 -0.988240D+01 -0.939821D+01  0.222236D+02  0.228569D+02
      3   0.127886D+01 -0.506046D+00  0.820776D+01 -0.826252D+00 -0.110819D+01
      4  -0.797714D+01  0.191336D+02 -0.159975D+02  0.745010D+01  0.832997D+01
      5   0.194624D+02 -0.105017D+02  0.308779D+02 -0.741439D+00 -0.106141D+01
      6  -0.108281D+02  0.133106D+02 -0.238530D+02 -0.538800D+01 -0.442649D+01
               291           292           293           294           295 
      1   0.537835D+01 -0.160965D+02 -0.481473D+02  0.798371D+01  0.392989D+01
      2  -0.333216D+01  0.212484D+02  0.628460D+02 -0.743054D+01 -0.261220D+01
      3  -0.204618D+01 -0.515195D+01 -0.146986D+02 -0.553173D+00 -0.131769D+01
      4  -0.207701D+01  0.248075D+00 -0.171515D+02  0.299474D+01 -0.101432D+01
      5  -0.400086D-01 -0.257708D+00  0.267698D+01 -0.246382D+01 -0.125362D+01
      6   0.709965D+01 -0.366464D+01 -0.113144D+02  0.134250D+02  0.677279D+01
               296           297           298           299           300 
      1   0.795942D+01 -0.149564D+02 -0.213976D+02 -0.217483D+02 -0.538405D+01
      2  -0.577232D+01  0.118244D+02  0.222219D+02  0.228528D+02  0.334187D+01
      3  -0.218709D+01  0.313200D+01 -0.824307D+00 -0.110451D+01  0.204218D+01
      4   0.945821D+00 -0.218532D+01  0.745964D+01  0.833518D+01  0.207980D+01
      5  -0.617679D+01  0.320980D+01  0.739683D+00  0.106333D+01 -0.519813D-01
      6   0.165999D+02 -0.954854D+01  0.539044D+01  0.443506D+01  0.709733D+01
               301           302           303           304           305 
      1  -0.160838D+02 -0.481135D+02 -0.798887D+01 -0.392981D+01 -0.795970D+01
      2   0.212311D+02  0.627988D+02  0.743499D+01  0.260872D+01  0.577193D+01
      3  -0.514729D+01 -0.146853D+02  0.553875D+00  0.132109D+01  0.218777D+01
      4   0.273012D+00 -0.170974D+02 -0.299113D+01  0.101754D+01 -0.939263D+00
      5   0.245947D+00 -0.267319D+01 -0.246475D+01 -0.125458D+01 -0.616657D+01
      6   0.366023D+01  0.113058D+02  0.134198D+02  0.677738D+01  0.165959D+02
               306           307           308           309           310 
      1  -0.149530D+02  0.325039D+02  0.149447D+02 -0.772310D+01  0.231863D+01
      2   0.118197D+02 -0.236211D+02 -0.193117D+02  0.525528D+01 -0.507450D+01
      3   0.313326D+01 -0.888272D+01  0.436705D+01  0.246782D+01  0.275587D+01
      4  -0.217416D+01 -0.118383D+02  0.364595D+02  0.155202D+02  0.949655D+01
      5  -0.321150D+01 -0.186827D+02  0.919045D+01  0.184486D+02  0.143161D+01
      6   0.955133D+01  0.978907D+01 -0.748619D+01 -0.101890D+02 -0.307784D+01
               311           312           313           314           315 
      1  -0.418797D+01 -0.525194D+01 -0.125387D+02 -0.103754D+02  0.118762D+01
      2   0.850410D+01  0.719995D+01  0.138149D+02  0.986721D+01 -0.938364D+01
      3  -0.431613D+01 -0.194801D+01 -0.127622D+01  0.508169D+00  0.819602D+01
      4  -0.174816D+02 -0.102439D+02  0.798857D+01 -0.191092D+02 -0.159983D+02
      5  -0.105875D+02 -0.183695D+01  0.194532D+02 -0.105057D+02 -0.308508D+02
      6   0.914819D+01  0.757520D+01 -0.108264D+02  0.133117D+02  0.238435D+02
               316           317           318           319           320 
      1   0.398667D+02  0.247988D+02  0.921292D+01  0.241968D+02  0.174939D+02
      2  -0.125847D+02 -0.393892D+00 -0.391783D+01  0.592347D+00  0.135437D+02
      3  -0.272820D+02 -0.244049D+02 -0.529509D+01 -0.247891D+02 -0.310376D+02
      4   0.481272D+02  0.515492D+02  0.133314D+02  0.538167D+02  0.713511D+02
      5   0.210563D+02  0.156334D+02  0.150972D+02  0.190217D+02  0.251121D+02
      6   0.136364D+02  0.135024D+02  0.729863D+01  0.159475D+02  0.232162D+02
               321           322           323           324           325 
      1   0.283790D+01  0.661409D+00 -0.210500D+01  0.349420D+00 -0.266174D+02
      2   0.123690D+01 -0.737595D+00 -0.855833D-01  0.170377D+01  0.117113D+02
      3  -0.407480D+01  0.761854D-01  0.219059D+01 -0.205319D+01  0.149061D+02
      4   0.212096D+02  0.218511D+01  0.985278D+01  0.131163D+02  0.171805D+01
      5   0.175649D+02  0.925640D+01  0.128180D+02  0.754499D+01  0.584050D+01
      6   0.138206D+02  0.422812D+01  0.962443D+01  0.651880D+01  0.108547D+02
               326           327           328           329           330 
      1   0.183559D+02  0.300254D+02  0.758154D+01 -0.106726D+02 -0.115811D+02
      2  -0.918565D+01 -0.735340D+01 -0.373452D+01  0.689156D+01  0.769338D+01
      3  -0.917023D+01 -0.226720D+02 -0.384701D+01  0.378101D+01  0.388769D+01
      4  -0.821620D-01 -0.149056D+01  0.328151D+01  0.944986D+01  0.915315D+01
      5  -0.502168D+01 -0.174747D+02 -0.832709D+00  0.972238D+01  0.689386D+01
      6  -0.875750D+01 -0.172346D+02 -0.256409D+01  0.108899D+02  0.116510D+02
               331           332           333           334           335 
      1   0.174131D+02 -0.162486D+02 -0.372742D+02  0.156293D+03  0.149557D+01
      2  -0.386525D+01  0.681456D+01  0.440832D+01 -0.920812D+02 -0.649418D+00
      3  -0.135479D+02  0.943407D+01  0.328659D+02 -0.642119D+02 -0.846157D+00
      4   0.709415D+00  0.774087D+01  0.565071D+01  0.657944D+01  0.130798D+02
      5  -0.617569D+01  0.107507D+02  0.294363D+02  0.646566D+02  0.891364D+00
      6  -0.877690D+01  0.143037D+02  0.241003D+02  0.201535D+01  0.321458D+01
               336           337           338           339           340 
      1   0.379353D+02  0.510585D+00  0.111672D+02 -0.187500D+00  0.212238D+02
      2  -0.269172D+02  0.296202D+00 -0.521272D+01  0.911282D+00 -0.170132D+02
      3  -0.110180D+02 -0.806787D+00 -0.595447D+01 -0.723781D+00 -0.421058D+01
      4   0.885755D+00  0.167304D+02  0.494126D-01  0.589939D+01  0.862487D+00
      5   0.343471D+02 -0.139542D+00  0.701220D+01 -0.162497D+01  0.277624D+02
      6   0.212364D+01  0.393712D+01  0.125081D+01  0.314270D+01  0.230262D+01
               341           342           343           344           345 
      1  -0.312038D+00  0.196559D+02  0.429746D+01 -0.612768D+01  0.174633D+02
      2   0.219171D+01 -0.158309D+02 -0.626116D+01  0.676858D+00 -0.193953D+01
      3  -0.187967D+01 -0.382495D+01  0.196370D+01  0.545082D+01 -0.155238D+02
      4   0.100126D+00 -0.119420D+01 -0.385477D+01 -0.606072D+01  0.529728D+01
      5  -0.135630D+01  0.172643D+02  0.939600D+01  0.313141D+01 -0.106463D+02
      6   0.168010D+01  0.107696D+00 -0.132763D+01 -0.275179D+01  0.109392D+01
               346           347           348           349           350 
      1  -0.699304D+01 -0.108056D+02  0.735093D+01  0.104064D+02  0.677646D+01
      2   0.508283D+01  0.141142D+01  0.715812D+01 -0.606734D+01  0.588520D+01
      3   0.191021D+01  0.939420D+01 -0.145091D+02 -0.433908D+01 -0.126617D+02
      4  -0.416605D+00 -0.174048D+02  0.182517D+02 -0.247526D+01  0.153525D+02
      5  -0.511657D+01  0.156355D+02 -0.278470D+02  0.655563D+01 -0.213564D+02
      6  -0.317616D+00 -0.732806D+01  0.856167D+01 -0.894978D+00  0.723520D+01
               351           352           353           354           355 
      1  -0.222109D+02  0.414208D+02 -0.297071D+02 -0.437003D+01 -0.328003D+02
      2  -0.166206D+02 -0.182316D+02  0.143062D+02  0.202312D+01  0.129761D+02
      3   0.388315D+02 -0.231891D+02  0.154009D+02  0.234692D+01  0.198242D+02
      4  -0.237424D+02 -0.361722D+02  0.246368D+02  0.422923D+01  0.350118D+02
      5   0.555252D+02 -0.518518D+01  0.392897D+01  0.112124D+02  0.449436D+01
      6  -0.790713D+01  0.136507D+01 -0.114051D+01 -0.989240D+00 -0.180400D+01
               356           357           358           359           360 
      1   0.165727D+02  0.347555D+01 -0.811595D+01  0.684905D+01  0.102620D+02
      2   0.254011D+01 -0.120382D+01  0.370514D+01 -0.322687D+01 -0.657315D+01
      3  -0.191128D+02 -0.227173D+01  0.441081D+01 -0.362219D+01 -0.368890D+01
      4  -0.593025D+02 -0.617062D+01  0.864156D+01 -0.740185D+01 -0.940556D+01
      5  -0.537328D+01 -0.636046D+01  0.164250D+02 -0.858012D+01 -0.578493D+01
      6   0.978017D+00  0.362117D+01 -0.181517D+01  0.481590D+01  0.104131D+01
               361           362           363           364           365 
      1  -0.506672D+02 -0.191040D+02 -0.133310D+02 -0.189996D+02 -0.126853D+02
      2   0.229445D+02  0.107894D+02 -0.428265D+01  0.960024D+01  0.471665D+01
      3   0.277226D+02  0.831456D+01  0.176137D+02  0.939940D+01  0.796866D+01
      4  -0.209467D+02 -0.945975D+01  0.472082D+00 -0.727553D+01 -0.651958D+01
      5   0.214772D+02  0.109043D+02 -0.996959D+01  0.939084D+01 -0.119585D+01
      6   0.718936D+01  0.536278D+01  0.424345D+00  0.410939D+01  0.370763D+01
               366           367           368           369           370 
      1  -0.212534D+01 -0.463210D+01 -0.316933D+00 -0.118937D+02 -0.190364D+01
      2  -0.327403D+01 -0.367826D+01 -0.255657D+01  0.466542D+01 -0.206694D+01
      3   0.539937D+01  0.831036D+01  0.287350D+01  0.722832D+01  0.397058D+01
      4  -0.609703D+01  0.155840D+01 -0.313484D+01 -0.421367D+01  0.366546D+01
      5  -0.465680D+01 -0.549047D+01 -0.375181D+01  0.536462D+01 -0.931366D+01
      6   0.555187D+01  0.438809D+00  0.324755D+01  0.117977D+01 -0.408969D+01
               371           372           373           374           375 
      1   0.496437D+01 -0.961834D+01  0.495283D+01 -0.127127D+02  0.180122D+02
      2  -0.171837D+01  0.651037D+01 -0.414884D+01  0.353892D+01  0.588902D+01
      3  -0.324599D+01  0.310797D+01 -0.803993D+00  0.917380D+01 -0.239012D+02
      4   0.442169D+01 -0.119664D+01  0.993493D+01  0.304442D+02 -0.246578D+02
      5  -0.159823D+01  0.114900D+02 -0.907793D+01 -0.262576D+02  0.370080D+02
      6  -0.139855D+01  0.273494D-01 -0.613389D+01 -0.265865D+02  0.269314D+02
               376           377           378           379           380 
      1  -0.553294D+01  0.125447D+02 -0.176346D+02  0.327573D+02 -0.171625D+02
      2   0.723898D+01  0.321702D+01 -0.139758D+02 -0.268889D+02  0.138287D+02
      3  -0.170604D+01 -0.157617D+02  0.316104D+02 -0.586845D+01  0.333383D+01
      4  -0.435360D+01 -0.179640D+02  0.220595D+02 -0.208501D+02  0.174548D+02
      5   0.147482D+02  0.224622D+02 -0.447603D+02 -0.374729D+02  0.203235D+02
      6   0.352896D+01  0.200172D+02 -0.255646D+02  0.984931D+01 -0.847709D+01
               381           382           383           384           385 
      1  -0.169096D+02 -0.234900D+02  0.105013D+02  0.997306D+01 -0.923775D+01
      2   0.222490D+02  0.192995D+02 -0.130324D+02 -0.180779D+02  0.153544D+02
      3  -0.533946D+01  0.419057D+01  0.253114D+01  0.810483D+01 -0.611662D+01
      4   0.141007D+02  0.218754D+02 -0.281922D+02 -0.247662D+02  0.948219D+01
      5   0.388606D+02  0.294202D+02 -0.291891D+02 -0.324545D+02  0.282612D+02
      6  -0.643018D+01 -0.114462D+02  0.145269D+02  0.155289D+02 -0.525971D+01
               386           387           388           389           390 
      1   0.433307D+01  0.932383D+01  0.432406D+02  0.100272D+02  0.236733D+02
      2  -0.906417D+01 -0.214670D+02 -0.179665D+02 -0.112490D+01 -0.829093D+01
      3   0.473110D+01  0.121431D+02 -0.252741D+02 -0.890231D+01 -0.153823D+02
      4  -0.138320D+02 -0.135704D+02  0.163971D+02  0.141873D+02  0.141371D+02
      5  -0.160519D+02 -0.373763D+02  0.201503D+02  0.102667D+02  0.198726D+02
      6   0.971384D+01  0.798749D+01  0.577280D+01  0.220974D+01  0.415958D+01
               391           392           393           394           395 
      1   0.102095D+02  0.138598D+02  0.112642D+02  0.473934D+02  0.170656D+02
      2   0.579749D+00 -0.116750D+01 -0.187124D+01 -0.183485D+02 -0.334580D+01
      3  -0.107892D+02 -0.126923D+02 -0.939291D+01 -0.290449D+02 -0.137198D+02
      4   0.211930D+02  0.204407D+02  0.103152D+02  0.243866D+02  0.167414D+02
      5   0.108781D+02  0.721267D+01  0.150396D+02  0.220289D+02  0.146780D+02
      6   0.131843D+01  0.156238D+01  0.626834D+01  0.497368D+01  0.536352D+01
               396           397           398           399           400 
      1   0.231970D+02  0.108338D+03 -0.318879D+02 -0.303009D+02 -0.812694D+02
      2  -0.611191D+01 -0.653740D+02  0.199628D+02  0.212362D+02  0.496510D+02
      3  -0.170851D+02 -0.429635D+02  0.119251D+02  0.906471D+01  0.316184D+02
      4   0.193196D+02 -0.226088D+02  0.163859D+02  0.699095D+01  0.273627D+02
      5   0.474007D+02 -0.408264D+02  0.119291D+02  0.256498D+02  0.317814D+02
      6   0.112217D+02  0.292958D+01 -0.223422D+01  0.664240D+00 -0.442833D+01
               401           402           403           404           405 
      1   0.296255D+02  0.238773D+02 -0.374855D+02  0.101486D+02  0.274275D+02
      2  -0.196693D+02 -0.183858D+02  0.270883D+02 -0.896778D+01 -0.201061D+02
      3  -0.995625D+01 -0.549156D+01  0.103972D+02 -0.118080D+01 -0.732141D+01
      4  -0.254661D+02 -0.142846D+02  0.635333D+01 -0.119087D+02 -0.300706D+01
      5  -0.176036D+02 -0.191745D+02  0.369856D+02 -0.617516D+01 -0.241699D+02
      6   0.358320D+01  0.359190D+01  0.168707D+01  0.409474D+01 -0.304365D+00
               406           407           408           409           410 
      1   0.981845D+01  0.747202D+01 -0.130358D+02  0.168144D+02  0.706176D+01
      2  -0.463645D+01 -0.188853D+01  0.677323D+01 -0.301461D+01  0.101087D+02
      3  -0.518200D+01 -0.558349D+01  0.626261D+01 -0.137998D+02 -0.171705D+02
      4   0.109003D+02  0.116234D+02 -0.625799D+01  0.368123D+02  0.619921D+02
      5  -0.142865D+02 -0.532224D+01  0.100902D+02 -0.189575D+02 -0.365990D+02
      6  -0.565739D+01 -0.279710D+01  0.234541D+01 -0.115927D+02 -0.245617D+02
               411           412           413           414           415 
      1   0.806682D+00 -0.254110D+02  0.731757D-01  0.695211D+01 -0.300582D+02
      2  -0.372547D+01  0.142283D+02 -0.329332D+01 -0.603924D+01  0.309309D+02
      3   0.291879D+01  0.111827D+02  0.322014D+01 -0.912869D+00 -0.872740D+00
      4  -0.358184D+02 -0.214377D+02 -0.367138D+02  0.339269D+02 -0.407430D+01
      5   0.328226D+02  0.297466D+02  0.334590D+02 -0.405654D+02  0.796618D+01
      6   0.191381D+02  0.108851D+02  0.196054D+02 -0.199640D+02  0.711622D+01
               416           417           418           419           420 
      1   0.319831D+02  0.100061D+02  0.204383D+02 -0.312644D+02 -0.112076D+02
      2  -0.342965D+02 -0.115138D+02 -0.210207D+02  0.421542D+02  0.136205D+02
      3   0.231346D+01  0.150768D+01  0.582431D+00 -0.108898D+02 -0.241294D+01
      4   0.829179D+00  0.180329D+01  0.396911D+01  0.104537D+02  0.340067D+01
      5  -0.669113D+01 -0.821803D+01 -0.534436D+01  0.946255D+01  0.399553D+01
      6  -0.523834D+01 -0.109142D+02 -0.478121D+01  0.835339D+01  0.680937D+01
               421           422           423           424           425 
      1   0.154499D+02 -0.214319D+02 -0.178272D+02  0.295196D+02  0.112678D+02
      2  -0.151268D+02  0.277385D+02  0.146989D+02  0.457823D+01  0.211316D+02
      3  -0.323018D+00 -0.630659D+01  0.312827D+01 -0.340979D+02 -0.323994D+02
      4   0.352813D+01  0.980169D+01 -0.746234D+00  0.573700D+02  0.604694D+02
      5  -0.817892D+01  0.769724D+01  0.869352D+01 -0.975230D+01 -0.104984D+02
      6  -0.104257D+02  0.106875D+02  0.111256D+02 -0.523020D+01 -0.937049D+01
               426           427           428           429           430 
      1   0.120933D+00  0.114957D+02 -0.312225D+00 -0.156473D+01  0.190126D+01
      2  -0.331517D+01  0.124857D+02  0.348048D+02 -0.599552D+00 -0.241555D+01
      3   0.319424D+01 -0.239814D+02 -0.344926D+02  0.216428D+01  0.514294D+00
      4  -0.792060D+01  0.439470D+02  0.629626D+02 -0.643528D+01 -0.316853D+01
      5   0.814093D+01 -0.789474D+01 -0.726129D+01  0.713536D+01  0.676274D+01
      6   0.683357D+01 -0.644058D+01 -0.849140D+01  0.722955D+01  0.556547D+01
               431           432           433           434           435 
      1  -0.250031D+01 -0.813062D+00 -0.139866D+02  0.118867D+02 -0.150623D+02
      2   0.335471D+01  0.331907D+01  0.757771D+01 -0.903428D+01  0.297375D+01
      3  -0.854397D+00 -0.250601D+01  0.640886D+01 -0.285246D+01  0.120885D+02
      4  -0.174266D+01  0.104237D+02 -0.140661D+01  0.121142D+01 -0.498555D+01
      5   0.962158D+01 -0.504279D+01 -0.383527D+01  0.895255D+00 -0.763387D+01
      6   0.980157D+01 -0.512281D+01 -0.839385D+01  0.446422D+01 -0.139191D+02
               436           437           438           439           440 
      1   0.261115D+01 -0.598535D+01  0.405709D+01 -0.132064D+02  0.164100D+02
      2  -0.269075D+01  0.237954D+01 -0.634447D+01  0.317513D+01 -0.139299D+02
      3   0.796017D-01  0.360582D+01  0.228738D+01  0.100312D+02 -0.248005D+01
      4   0.821161D-01 -0.248036D+01 -0.515504D+01 -0.515899D+01 -0.980674D+01
      5  -0.920926D+00 -0.515034D+01  0.118844D+01 -0.398899D+01  0.103560D+02
      6   0.689560D+00 -0.572116D+01  0.670727D+01 -0.105319D+02  0.181719D+02
               441           442           443           444           445 
      1  -0.348545D+02 -0.196765D+01  0.499528D+01  0.961696D+01  0.495536D+01
      2   0.356723D+01 -0.201351D+01 -0.172800D+01 -0.646591D+01 -0.413088D+01
      3   0.312872D+02  0.398115D+01 -0.326728D+01 -0.315105D+01 -0.824480D+00
      4  -0.639866D-01  0.364240D+01  0.434142D+01  0.114947D+01  0.985343D+01
      5  -0.346365D+02  0.924141D+01  0.156052D+01  0.113924D+02  0.900034D+01
      6  -0.403413D+02  0.408289D+01  0.134212D+01 -0.252756D-01  0.607982D+01
               446           447           448           449           450 
      1  -0.128374D+02 -0.180905D+02  0.552935D+01 -0.125927D+02 -0.176984D+02
      2   0.363387D+01 -0.584258D+01 -0.719044D+01 -0.318250D+01 -0.138867D+02
      3   0.920352D+01  0.239331D+02  0.166108D+01  0.157752D+02  0.315851D+02
      4   0.304657D+02  0.246237D+02  0.430284D+01  0.179236D+02  0.220014D+02
      5   0.261975D+02  0.369212D+02  0.146402D+02  0.223935D+02  0.445961D+02
      6   0.266235D+02  0.269348D+02  0.347993D+01  0.200152D+02  0.255366D+02
               451           452           453           454           455 
      1  -0.506128D+02 -0.191003D+02  0.132731D+02 -0.189994D+02 -0.127091D+02
      2   0.229376D+02  0.108066D+02  0.428954D+01  0.961485D+01  0.473779D+01
      3   0.276752D+02  0.829365D+01 -0.175627D+02  0.938453D+01  0.797132D+01
      4  -0.209557D+02 -0.948245D+01 -0.513276D+00 -0.730373D+01 -0.652062D+01
      5  -0.215019D+02 -0.109385D+02 -0.995656D+01 -0.942195D+01  0.117009D+01
      6  -0.720394D+01 -0.537046D+01  0.417369D+00 -0.412642D+01 -0.370675D+01
               456           457           458           459           460 
      1   0.210509D+01  0.454273D+01  0.283326D+00 -0.118690D+02  0.326874D+02
      2   0.329828D+01  0.372050D+01  0.258838D+01  0.469636D+01 -0.268698D+02
      3  -0.540337D+01 -0.826323D+01 -0.287171D+01  0.717260D+01 -0.581756D+01
      4   0.607841D+01 -0.160797D+01  0.311242D+01 -0.424131D+01 -0.207824D+02
      5  -0.468874D+01 -0.552664D+01 -0.379357D+01 -0.541551D+01  0.374776D+02
      6   0.554482D+01  0.425669D+00  0.324017D+01 -0.119026D+01 -0.982920D+01
               461           462           463           464           465 
      1  -0.170880D+02  0.168769D+02 -0.233874D+02  0.104049D+02 -0.993695D+01
      2   0.138041D+02 -0.222813D+02  0.192617D+02 -0.129948D+02  0.180968D+02
      3   0.328385D+01  0.540443D+01  0.412569D+01  0.258987D+01 -0.815982D+01
      4   0.173963D+02 -0.140982D+02  0.217863D+02 -0.281114D+02  0.247509D+02
      5  -0.203043D+02  0.389197D+02 -0.293986D+02  0.291534D+02 -0.324786D+02
      6   0.845187D+01 -0.643359D+01  0.114141D+02 -0.144935D+02  0.155324D+02
               466           467           468           469           470 
      1   0.924774D+01 -0.431781D+01  0.929308D+01  0.976991D+01  0.748222D+01
      2  -0.154011D+02  0.908187D+01 -0.215762D+02 -0.461238D+01 -0.190303D+01
      3   0.615334D+01 -0.476407D+01  0.122831D+02 -0.515753D+01 -0.557918D+01
      4  -0.948104D+01  0.138563D+02 -0.136059D+02  0.108903D+02  0.115982D+02
      5   0.283427D+02 -0.160845D+02  0.375553D+02  0.142589D+02  0.530203D+01
      6  -0.526182D+01  0.971296D+01 -0.800320D+01  0.564959D+01  0.279083D+01
               471           472           473           474           475 
      1   0.130115D+02  0.168294D+02  0.703533D+01 -0.826868D+00  0.253621D+02
      2  -0.676912D+01 -0.303826D+01  0.100975D+02  0.371913D+01 -0.142200D+02
      3  -0.624236D+01 -0.137912D+02 -0.171328D+02 -0.289226D+01 -0.111421D+02
      4   0.623014D+01  0.367930D+02  0.619919D+02  0.358388D+02  0.213951D+02
      5   0.100929D+02  0.189572D+02  0.366212D+02  0.328284D+02  0.297560D+02
      6   0.233952D+01  0.115976D+02  0.245833D+02  0.191514D+02  0.108807D+02
               476           477           478           479           480 
      1  -0.107237D+00  0.695615D+01  0.108011D+03 -0.318606D+02  0.303278D+02
      2   0.328997D+01 -0.606356D+01 -0.652121D+02  0.199480D+02 -0.212684D+02
      3  -0.318274D+01 -0.892586D+00 -0.427989D+02  0.119127D+02 -0.905938D+01
      4   0.366969D+02  0.339150D+02 -0.226338D+02  0.163719D+02 -0.702481D+01
      5   0.334443D+02  0.405823D+02  0.408626D+02 -0.119664D+02  0.256940D+02
      6   0.196063D+02  0.199688D+02 -0.294530D+01  0.223818D+01  0.654865D+00
               481           482           483           484           485 
      1  -0.811609D+02  0.296065D+02 -0.239425D+02  0.375303D+02 -0.101862D+02
      2   0.496089D+02 -0.196728D+02  0.184492D+02 -0.271425D+02  0.900191D+01
      3   0.315520D+02 -0.993366D+01  0.549338D+01 -0.103878D+02  0.118432D+01
      4   0.273824D+02 -0.255004D+02  0.143500D+02 -0.640449D+01  0.119505D+02
      5  -0.318761D+02  0.176718D+02 -0.192631D+02  0.370659D+02 -0.623073D+01
      6   0.444204D+01 -0.360229D+01  0.360967D+01  0.167458D+01  0.410374D+01
               486           487           488           489           490 
      1   0.274691D+02  0.434792D+02  0.100794D+02 -0.237418D+02  0.102364D+02
      2  -0.201742D+02 -0.180648D+02 -0.114704D+01  0.831982D+01  0.567630D+00
      3  -0.729484D+01 -0.254144D+02 -0.893240D+01  0.154220D+02 -0.108041D+02
      4  -0.305930D+01  0.164674D+02  0.142069D+02 -0.141349D+02  0.211987D+02
      5   0.243062D+02 -0.201798D+02 -0.102558D+02  0.198931D+02 -0.108699D+02
      6   0.299024D+00 -0.577297D+01 -0.219999D+01  0.415711D+01 -0.130781D+01
               491           492           493           494           495 
      1   0.138783D+02 -0.112781D+02 -0.474807D+02 -0.170716D+02  0.232536D+02
      2  -0.119463D+01  0.189002D+01  0.183847D+02  0.336187D+01 -0.614479D+01
      3  -0.126837D+02  0.938809D+01  0.290959D+02  0.137097D+02 -0.171088D+02
      4   0.203974D+02 -0.102733D+02 -0.243786D+02 -0.166948D+02  0.192618D+02
      5  -0.716796D+01  0.149791D+02  0.220338D+02  0.146132D+02 -0.473203D+02
      6  -0.154289D+01  0.624987D+01  0.496284D+01  0.534117D+01 -0.111852D+02
               496           497           498           499           500 
      1   0.156500D+03  0.140842D+01 -0.378444D+02  0.441917D+00  0.111833D+02
      2  -0.921490D+02 -0.596371D+00  0.268367D+02  0.335086D+00 -0.522063D+01
      3  -0.643513D+02 -0.812050D+00  0.110077D+02 -0.777003D+00 -0.596264D+01
      4   0.646522D+01  0.130789D+02 -0.847980D+00  0.167365D+02  0.295117D-01
      5  -0.645266D+02 -0.849746D+00  0.342488D+02  0.178756D+00 -0.699353D+01
      6  -0.197843D+01 -0.320479D+01  0.210745D+01 -0.392660D+01 -0.123809D+01
               501           502           503           504           505 
      1   0.209991D+00 -0.210885D+02  0.333075D+00  0.196113D+02  0.434477D+01
      2  -0.924474D+00  0.169133D+02 -0.220364D+01 -0.157748D+02 -0.627394D+01
      3   0.714483D+00  0.417515D+01  0.187057D+01 -0.383657D+01  0.192916D+01
      4  -0.588089D+01 -0.830922D+00 -0.871009D-01 -0.122010D+01 -0.386951D+01
      5  -0.164467D+01  0.276705D+02 -0.138153D+01 -0.171596D+02 -0.938402D+01
      6   0.313538D+01  0.228531D+01  0.167315D+01 -0.943546D-01  0.133597D+01
               506           507           508           509           510 
      1  -0.614309D+01 -0.174233D+02 -0.700483D+01 -0.107888D+02 -0.732047D+01
      2   0.698511D+00  0.194397D+01  0.509642D+01  0.140542D+01 -0.715966D+01
      3   0.544458D+01  0.154793D+02  0.190841D+01  0.938333D+01  0.144801D+02
      4  -0.605193D+01 -0.527461D+01 -0.391935D+00 -0.174238D+02 -0.182843D+02
      5  -0.311311D+01 -0.106262D+02  0.514378D+01 -0.156781D+02 -0.278672D+02
      6   0.274695D+01  0.109010D+01  0.307909D+00  0.733246D+01  0.857194D+01
               511           512           513           514           515 
      1  -0.103843D+02 -0.675577D+01 -0.221603D+02 -0.265459D+02  0.183471D+02
      2   0.607635D+01 -0.589389D+01 -0.166357D+02  0.116731D+02 -0.917502D+01
      3   0.430799D+01  0.126497D+02  0.387960D+02  0.148728D+02 -0.917209D+01
      4   0.250521D+01 -0.153872D+02 -0.237666D+02  0.174588D+01 -0.835316D-01
      5   0.659655D+01 -0.213930D+02 -0.555934D+02 -0.584936D+01  0.502538D+01
      6  -0.904438D+00  0.724727D+01  0.792690D+01 -0.108334D+02  0.874972D+01
               516           517           518           519           520 
      1  -0.300149D+02  0.757440D+01 -0.106666D+02  0.115995D+02 -0.173952D+02
      2   0.734143D+01 -0.372444D+01  0.688209D+01 -0.769066D+01  0.385416D+01
      3   0.226735D+02 -0.384996D+01  0.378450D+01 -0.390887D+01  0.135410D+02
      4   0.150444D+01  0.328761D+01  0.945779D+01 -0.917427D+01 -0.702908D+00
      5  -0.175044D+02  0.832576D+00 -0.974530D+01  0.693289D+01 -0.617565D+01
      6  -0.172315D+02  0.255695D+01 -0.108949D+02  0.116731D+02 -0.876595D+01
               521           522           523           524           525 
      1   0.162587D+02 -0.373348D+02  0.399957D+02  0.248629D+02 -0.922892D+01
      2  -0.681294D+01  0.438896D+01 -0.126472D+02 -0.426904D+00  0.392205D+01
      3  -0.944575D+01  0.329458D+02 -0.273485D+02 -0.244359D+02  0.530687D+01
      4  -0.775489D+01  0.569053D+01  0.481960D+02  0.515864D+02 -0.133288D+02
      5   0.107922D+02 -0.295730D+02 -0.210756D+02 -0.156377D+02  0.150985D+02
      6   0.143209D+02 -0.241523D+02 -0.136316D+02 -0.134966D+02  0.729196D+01
               526           527           528           529           530 
      1   0.242685D+02  0.175825D+02 -0.286322D+01 -0.645915D+00  0.210109D+01
      2   0.552940D+00  0.134619D+02 -0.121005D+01  0.732470D+00  0.101328D+00
      3  -0.248214D+02 -0.310444D+02  0.407328D+01 -0.865548D-01 -0.220242D+01
      4   0.538523D+02  0.713152D+02 -0.211821D+02 -0.216483D+01 -0.980581D+01
      5  -0.190333D+02 -0.250878D+02  0.175607D+02  0.924056D+01  0.128097D+02
      6  -0.159416D+02 -0.231670D+02  0.137980D+02  0.421527D+01  0.960036D+01
               531           532           533           534           535 
      1   0.349733D+00  0.413020D+02 -0.296580D+02  0.437212D+01 -0.327558D+02
      2   0.169859D+01 -0.181701D+02  0.142667D+02 -0.202240D+01  0.129509D+02
      3  -0.204832D+01 -0.231319D+02  0.153912D+02 -0.234972D+01  0.198049D+02
      4   0.131063D+02 -0.361363D+02  0.246481D+02 -0.425832D+01  0.350069D+02
      5  -0.753626D+01  0.519741D+01 -0.395993D+01  0.112115D+02 -0.453145D+01
      6  -0.650579D+01 -0.137963D+01  0.115226D+01 -0.991445D+00  0.181826D+01
               536           537           538           539           540 
      1   0.165805D+02 -0.350114D+01  0.811020D+01 -0.686329D+01  0.102608D+02
      2   0.252079D+01  0.121583D+01 -0.370022D+01  0.323292D+01 -0.657132D+01
      3  -0.191012D+02  0.228531D+01 -0.440999D+01  0.363036D+01 -0.368951D+01
      4  -0.592698D+02  0.620155D+01 -0.867292D+01  0.743996D+01 -0.942351D+01
      5   0.540565D+01 -0.636981D+01  0.164273D+02 -0.859573D+01  0.583158D+01
      6  -0.993699D+00  0.362859D+01 -0.182081D+01  0.482078D+01 -0.105060D+01
               541           542           543           544           545 
      1   0.295800D+02  0.113117D+02 -0.968165D-01  0.115142D+02 -0.270547D+00
      2   0.455403D+01  0.211112D+02  0.330906D+01  0.124668D+02  0.347310D+02
      3  -0.341341D+02 -0.324229D+02 -0.321224D+01 -0.239810D+02 -0.344605D+02
      4   0.574474D+02  0.605097D+02  0.794532D+01  0.439455D+02  0.629112D+02
      5   0.977147D+01  0.105025D+02  0.814854D+01  0.789499D+01  0.725279D+01
      6   0.524693D+01  0.936911D+01  0.683172D+01  0.644232D+01  0.847698D+01
               546           547           548           549           550 
      1   0.157574D+01 -0.187143D+01  0.250783D+01 -0.809609D+00 -0.299821D+02
      2   0.596389D+00  0.241553D+01 -0.333505D+01  0.332563D+01  0.308656D+02
      3  -0.217213D+01 -0.544096D+00  0.827217D+00 -0.251602D+01 -0.883488D+00
      4   0.644144D+01  0.321819D+01  0.179120D+01  0.104396D+02 -0.400144D+01
      5   0.713732D+01  0.677949D+01  0.964008D+01  0.504564D+01 -0.794148D+01
      6   0.723061D+01  0.557010D+01  0.981490D+01  0.512697D+01 -0.712413D+01
               551           552           553           554           555 
      1   0.319647D+02 -0.100306D+02  0.204182D+02 -0.312978D+02  0.112517D+02
      2  -0.342636D+02  0.115396D+02 -0.209859D+02  0.422125D+02 -0.136758D+02
      3   0.229892D+01 -0.150894D+01  0.567639D+00 -0.109146D+02  0.242412D+01
      4   0.832614D+00 -0.178425D+01  0.396874D+01  0.105297D+02 -0.342469D+01
      5   0.670201D+01 -0.822850D+01  0.534682D+01 -0.948976D+01  0.402752D+01
      6   0.527643D+01 -0.109272D+02  0.480401D+01 -0.840790D+01  0.685012D+01
               556           557           558           559           560 
      1  -0.154601D+02  0.214962D+02 -0.178817D+02 -0.140178D+02  0.119192D+02
      2   0.151350D+02 -0.278129D+02  0.147613D+02  0.759497D+01 -0.906976D+01
      3   0.325048D+00  0.631670D+01  0.312047D+01  0.642281D+01 -0.284943D+01
      4  -0.350937D+01 -0.984244D+01 -0.714192D+00 -0.142633D+01  0.119754D+01
      5  -0.818333D+01  0.774244D+01 -0.875572D+01  0.384545D+01 -0.907817D+00
      6  -0.104380D+02  0.107485D+02 -0.111962D+02  0.841713D+01 -0.447854D+01
               561           562           563           564           565 
      1   0.150938D+02  0.262789D+01 -0.600596D+01 -0.407992D+01  0.132356D+02
      2  -0.299979D+01 -0.270826D+01  0.239470D+01  0.635233D+01 -0.319327D+01
      3  -0.120940D+02  0.803775D-01  0.361126D+01 -0.227241D+01 -0.100424D+02
      4   0.499242D+01  0.781000D-01 -0.248841D+01  0.515904D+01  0.516850D+01
      5  -0.765600D+01  0.917271D+00  0.516269D+01  0.120232D+01 -0.401454D+01
      6  -0.139469D+02 -0.699130D+00  0.572931D+01  0.672761D+01 -0.105606D+02
               566           567 
      1  -0.164298D+02 -0.348418D+02
      2   0.139683D+02  0.363494D+01
      3   0.246152D+01  0.312069D+02
      4   0.982189D+01 -0.791584D-01
      5   0.103524D+02  0.345597D+02
      6   0.181754D+02  0.402772D+02
 Leave Link  716 at Sat Aug 28 10:43:22 2021, MaxMem=  7516192768 cpu:               1.4 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.400924D+03  0.349854D+02  0.524798D-02
      2   0.349854D+02  0.338012D+03 -0.281672D-02
      3   0.524798D-02 -0.281672D-02  0.250709D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.114674D+02  0.222653D+02  0.385240D-01
      2   0.940596D+01  0.471086D+02  0.269327D-01
      3   0.291594D-01  0.548674D-02 -0.511218D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.211313D+00  0.315159D-01  0.352890D+01
      2  -0.142949D+00  0.101787D-01 -0.111273D+03
      3  -0.683639D-01 -0.416945D-01  0.107744D+03
      4  -0.341711D-01 -0.573575D-01  0.896547D+02
      5   0.142292D+03  0.902848D+02  0.348603D-01
      6   0.153063D+02  0.487959D+02 -0.113544D+00
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=   189 ND12= 1 LenFil=    6807:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.772379D+01 -0.934695D+00  0.164100D+01 -0.152380D+00  0.226153D+01
      2  -0.934695D+00  0.429413D+00  0.504576D+00  0.226153D+01 -0.682536D+00
      3   0.164100D+01  0.504576D+00  0.180835D+01 -0.224303D+00  0.299276D+00
                 6             7             8             9            10 
      1  -0.224303D+00 -0.160679D+01 -0.780389D+00  0.230825D+01 -0.251380D+01
      2   0.299276D+00 -0.780389D+00 -0.101028D+01  0.341536D+01 -0.651466D-02
      3   0.341744D+01  0.230825D+01  0.341536D+01  0.338935D+00 -0.285972D+00
                11            12            13            14            15 
      1  -0.651466D-02 -0.285972D+00  0.103384D+01 -0.444993D+01  0.111423D+01
      2  -0.324575D+01  0.954911D+00 -0.444993D+01 -0.785088D+00 -0.207072D+01
      3   0.954911D+00 -0.185327D+01  0.111423D+01 -0.207072D+01 -0.406079D+01
                16            17            18            19            20 
      1   0.745837D+00  0.136316D+01 -0.409609D+01  0.165366D+02  0.652448D+01
      2   0.136316D+01  0.274290D+00 -0.303433D+01  0.652448D+01  0.112112D+02
      3  -0.409609D+01 -0.303433D+01  0.274172D+00  0.396557D+00  0.105274D+01
                21            22            23            24            25 
      1   0.396557D+00  0.250156D+01  0.448615D+01 -0.625837D-01  0.199231D+00
      2   0.105274D+01  0.448615D+01  0.165924D+02  0.233257D+01  0.260992D+00
      3   0.149945D+01 -0.625837D-01  0.233257D+01  0.152011D+01  0.377879D+01
                26            27            28            29            30 
      1   0.260992D+00  0.377879D+01 -0.142026D+02  0.607078D+00 -0.396769D+00
      2   0.199535D+01  0.199552D+01  0.607078D+00  0.105894D+02  0.630427D+00
      3   0.199552D+01  0.813307D+00 -0.396769D+00  0.630427D+00 -0.244461D+00
                31            32            33            34            35 
      1   0.559196D+01  0.502426D+01 -0.439030D+00  0.131355D+01 -0.666128D+00
      2   0.502426D+01  0.279015D+01 -0.101584D+00 -0.666128D+00  0.102434D+01
      3  -0.439030D+00 -0.101584D+00  0.320211D+00  0.165925D+01  0.267649D+01
                36            37            38            39            40 
      1   0.165925D+01  0.362100D+00  0.194997D+01 -0.568874D+00  0.103799D+02
      2   0.267649D+01  0.194997D+01  0.663990D+00  0.220652D+01  0.218314D+01
      3   0.865329D+00 -0.568874D+00  0.220652D+01 -0.321765D+01  0.250142D+01
                41            42            43            44            45 
      1   0.218314D+01  0.250142D+01  0.895317D+00  0.508721D+01 -0.542322D+01
      2  -0.119911D+01 -0.166943D+01  0.508721D+01 -0.507385D+00 -0.143532D+01
      3  -0.166943D+01  0.159096D+01 -0.542322D+01 -0.143532D+01  0.262462D+01
                46            47            48            49            50 
      1  -0.316328D+00 -0.354647D+01  0.161932D+01 -0.525976D+01 -0.510249D+01
      2  -0.354647D+01 -0.352969D+01 -0.413862D+00 -0.510249D+01  0.447668D+00
      3   0.161932D+01 -0.413862D+00  0.328241D+01  0.544036D+00  0.218638D+01
                51            52            53            54            55 
      1   0.544036D+00 -0.271681D+01 -0.325452D+01  0.479572D+01 -0.157772D+01
      2   0.218638D+01 -0.325452D+01 -0.240136D+00 -0.190964D+00 -0.504975D+01
      3  -0.106707D+01  0.479572D+01 -0.190964D+00 -0.184473D+01  0.153611D+01
                56            57            58            59            60 
      1  -0.504975D+01  0.153611D+01 -0.843050D+01  0.886566D+00 -0.192403D+01
      2  -0.404292D+00 -0.171919D+01  0.886566D+00  0.184877D+01  0.328119D+01
      3  -0.171919D+01  0.385582D+01 -0.192403D+01  0.328119D+01  0.287307D+01
                61            62            63            64            65 
      1   0.392191D+01 -0.113033D+01  0.468914D+01  0.164168D+02  0.378334D+01
      2  -0.113033D+01  0.325244D+01  0.253534D+01  0.378334D+01 -0.110646D+02
      3   0.468914D+01  0.253534D+01 -0.105351D+01  0.877831D+00 -0.151739D+01
                66            67            68            69            70 
      1   0.877831D+00  0.842327D+01  0.688364D+00  0.383005D+00  0.252799D+01
      2  -0.151739D+01  0.688364D+00  0.590792D+01  0.591287D+00 -0.320378D-01
      3  -0.405956D+00  0.383005D+00  0.591287D+00  0.739448D+00 -0.106196D+01
                71            72            73            74            75 
      1  -0.320378D-01 -0.106196D+01  0.935995D-02  0.157120D-02 -0.225531D+00
      2  -0.254418D+00  0.114004D+01  0.157120D-02  0.909032D-03 -0.394349D+00
      3   0.114004D+01  0.396261D+00 -0.225531D+00 -0.394349D+00 -0.571121D-04
                76            77            78            79            80 
      1  -0.334645D-02  0.240870D-02 -0.922342D+00  0.244345D+01  0.825735D+00
      2   0.240870D-02  0.106542D-02  0.345411D+00  0.825735D+00  0.314016D+00
      3  -0.922342D+00  0.345411D+00  0.491897D-03  0.534326D-03  0.142190D-02
                81            82            83            84            85 
      1   0.534326D-03  0.257888D+01 -0.102490D+02 -0.172933D+01 -0.112214D+02
      2   0.142190D-02 -0.102490D+02 -0.372150D+01 -0.807975D+00  0.151011D+01
      3  -0.264304D+00 -0.172933D+01 -0.807975D+00 -0.349891D+00  0.662483D+00
                86            87            88            89            90 
      1   0.151011D+01  0.662483D+00 -0.336621D+01  0.329432D+00 -0.184621D+01
      2  -0.185064D+01 -0.484330D-01  0.329432D+00  0.328658D+00 -0.113730D+01
      3  -0.484330D-01 -0.148014D+00 -0.184621D+01 -0.113730D+01 -0.353518D+00
                91            92            93            94            95 
      1  -0.104360D+02  0.486677D+01  0.709146D+00 -0.862469D+01 -0.159825D+02
      2   0.486677D+01 -0.523347D+01 -0.412770D+00 -0.159825D+02 -0.267083D+02
      3   0.709146D+00 -0.412770D+00 -0.126284D+01 -0.218116D+01 -0.326359D+01
                96            97            98            99           100 
      1  -0.218116D+01 -0.283674D+01 -0.246360D+01 -0.229849D+01 -0.682971D+00
      2  -0.326359D+01 -0.246360D+01 -0.352053D+01 -0.482047D+01 -0.479785D+01
      3  -0.249054D+01 -0.229849D+01 -0.482047D+01 -0.180378D+01 -0.345789D+00
               101           102           103           104           105 
      1  -0.479785D+01 -0.345789D+00  0.870173D+00  0.100358D+02  0.168306D+01
      2  -0.338334D+01 -0.194481D+00  0.100358D+02  0.416939D+01  0.581073D+00
      3  -0.194481D+00 -0.114512D+01  0.168306D+01  0.581073D+00 -0.303356D+00
               106           107           108           109           110 
      1   0.203128D+01  0.149339D+01 -0.851536D+00  0.282227D+01  0.876280D+00
      2   0.149339D+01 -0.802819D+00  0.715616D+00  0.876280D+00  0.432041D+01
      3  -0.851536D+00  0.715616D+00 -0.409300D+00  0.156666D+01  0.104903D-01
               111           112           113           114           115 
      1   0.156666D+01 -0.141931D+01 -0.503510D+00 -0.544794D+00  0.147539D+01
      2   0.104903D-01 -0.503510D+00 -0.441916D+01  0.110906D+01  0.503099D+00
      3   0.950062D+00 -0.544794D+00  0.110906D+01 -0.600389D+00  0.149441D+01
               116           117           118           119           120 
      1   0.503099D+00  0.149441D+01 -0.172456D+01 -0.493632D+01  0.351571D+00
      2   0.416932D+01 -0.133128D+01 -0.493632D+01 -0.166977D+01 -0.161171D+01
      3  -0.133128D+01  0.361340D+01  0.351571D+00 -0.161171D+01  0.300564D+01
               121           122           123           124           125 
      1  -0.416309D+01 -0.156351D+01 -0.154293D+01  0.417807D+00 -0.180166D+01
      2  -0.156351D+01 -0.132177D+00  0.171754D+01 -0.180166D+01  0.188768D+01
      3  -0.154293D+01  0.171754D+01 -0.430855D+00  0.286328D+01 -0.710118D+00
               126           127           128           129           130 
      1   0.286328D+01  0.154445D+01  0.443054D+01 -0.642518D+00  0.669724D+01
      2  -0.710118D+00  0.443054D+01 -0.181195D+00  0.165139D+01 -0.176758D+01
      3  -0.351966D+01 -0.642518D+00  0.165139D+01 -0.246769D+01  0.182689D+01
               131           132           133           134           135 
      1  -0.176758D+01  0.182689D+01 -0.149322D+01  0.875970D+00 -0.331450D+01
      2  -0.204083D+01 -0.290771D+01  0.875970D+00 -0.302680D+01 -0.290769D+01
      3  -0.290771D+01 -0.257045D+01 -0.331450D+01 -0.290769D+01  0.136165D+01
               136           137           138           139           140 
      1   0.340671D+01  0.409794D+01 -0.116812D+01  0.465312D+01 -0.144369D+01
      2   0.409794D+01 -0.287690D+00  0.180586D+01 -0.144369D+01 -0.125784D+01
      3  -0.116812D+01  0.180586D+01 -0.234225D+01  0.156029D+01 -0.389383D+01
               141           142           143           144           145 
      1   0.156029D+01 -0.143134D+01  0.990626D+00 -0.244642D+01 -0.164132D+02
      2  -0.389383D+01  0.990626D+00 -0.300653D+01 -0.211990D+01 -0.379111D+01
      3  -0.205656D+01 -0.244642D+01 -0.211990D+01  0.123366D+01  0.888069D+00
               146           147           148           149           150 
      1  -0.379111D+01  0.888069D+00 -0.842078D+01 -0.691250D+00  0.384631D+00
      2   0.110622D+02 -0.152255D+01 -0.691250D+00 -0.590286D+01  0.594663D+00
      3  -0.152255D+01  0.407233D+00  0.384631D+00  0.594663D+00 -0.739509D+00
               151           152           153           154           155 
      1   0.254407D+01 -0.327033D-01  0.106198D+01  0.142041D+02 -0.595801D+00
      2  -0.327033D-01 -0.245744D+00 -0.113965D+01 -0.595801D+00 -0.105894D+02
      3   0.106198D+01 -0.113965D+01  0.399294D+00 -0.402506D+00  0.634618D+00
               156           157           158           159           160 
      1  -0.402506D+00 -0.556851D+01 -0.502687D+01 -0.444741D+00  0.132755D+01
      2   0.634618D+00 -0.502687D+01 -0.280459D+01 -0.106765D+00 -0.670105D+00
      3   0.243629D+00 -0.444741D+00 -0.106765D+00 -0.319928D+00 -0.165634D+01
               161           162           163           164           165 
      1  -0.670105D+00 -0.165634D+01 -0.360085D+00 -0.195638D+01 -0.574443D+00
      2   0.102841D+01 -0.267913D+01 -0.195638D+01 -0.663269D+00  0.220479D+01
      3  -0.267913D+01  0.867966D+00 -0.574443D+00  0.220479D+01  0.321100D+01
               166           167           168           169           170 
      1  -0.103824D+02 -0.218199D+01  0.250000D+01  0.885514D+00  0.509577D+01
      2  -0.218199D+01  0.119908D+01 -0.166669D+01  0.509577D+01 -0.501762D+00
      3   0.250000D+01 -0.166669D+01 -0.157980D+01  0.541361D+01  0.144621D+01
               171           172           173           174           175 
      1   0.541361D+01  0.156059D+01  0.505251D+01  0.154818D+01  0.842954D+01
      2   0.144621D+01  0.505251D+01  0.405302D+00 -0.171251D+01 -0.888606D+00
      3   0.264263D+01  0.154818D+01 -0.171251D+01 -0.384712D+01 -0.190936D+01
               176           177           178           179           180 
      1  -0.888606D+00 -0.190936D+01  0.393061D+01 -0.112242D+01 -0.467404D+01
      2  -0.184694D+01  0.327640D+01 -0.112242D+01  0.325235D+01 -0.254421D+01
      3   0.327640D+01 -0.288691D+01 -0.467404D+01 -0.254421D+01 -0.107200D+01
               181           182           183           184           185 
      1   0.251240D+01 -0.168217D-02 -0.293736D+00 -0.104244D+01  0.445206D+01
      2  -0.168217D-02  0.324490D+01  0.952095D+00  0.445206D+01  0.790482D+00
      3  -0.293736D+00  0.952095D+00  0.184940D+01  0.110856D+01 -0.206190D+01
               186           187           188           189           190 
      1   0.110856D+01  0.735397D+00  0.136084D+01  0.409252D+01 -0.165276D+02
      2  -0.206190D+01  0.136084D+01  0.282638D+00  0.303852D+01 -0.651811D+01
      3   0.406492D+01  0.409252D+01  0.303852D+01  0.283790D+00  0.397365D+00
               191           192           193           194           195 
      1  -0.651811D+01  0.397365D+00 -0.251026D+01 -0.447848D+01 -0.626024D-01
      2  -0.112101D+02  0.105108D+01 -0.447848D+01 -0.165979D+02  0.233527D+01
      3   0.105108D+01 -0.149837D+01 -0.626024D-01  0.233527D+01 -0.152482D+01
               196           197           198           199           200 
      1   0.197545D+00  0.252441D+00 -0.377684D+01  0.772363D+01  0.941632D+00
      2   0.252441D+00  0.198481D+01 -0.199407D+01  0.941632D+00 -0.427398D+00
      3  -0.377684D+01 -0.199407D+01  0.811549D+00  0.165720D+01  0.510970D+00
               201           202           203           204           205 
      1   0.165720D+01  0.159805D+00 -0.226170D+01 -0.217613D+00 -0.158807D+01
      2   0.510970D+00 -0.226170D+01  0.677481D+00  0.293150D+00 -0.774362D+00
      3  -0.180291D+01 -0.217613D+00  0.293150D+00 -0.341797D+01 -0.230533D+01
               206           207           208           209           210 
      1  -0.774362D+00 -0.230533D+01  0.315062D+00  0.355129D+01  0.162724D+01
      2  -0.101547D+01 -0.341620D+01  0.355129D+01  0.353483D+01 -0.412325D+00
      3  -0.341620D+01  0.333241D+00  0.162724D+01 -0.412325D+00 -0.327403D+01
               211           212           213           214           215 
      1   0.525702D+01  0.510826D+01  0.543876D+00 -0.270358D+01 -0.325513D+01
      2   0.510826D+01 -0.437328D+00  0.219155D+01 -0.325513D+01 -0.236922D+00
      3   0.543876D+00  0.219155D+01  0.106203D+01 -0.478947D+01  0.182956D+00
               216           217           218           219           220 
      1  -0.478947D+01 -0.340614D+01 -0.410030D+01 -0.117811D+01 -0.465219D+01
      2   0.182956D+00 -0.410030D+01  0.302063D+00  0.179405D+01  0.145896D+01
      3  -0.186243D+01 -0.117811D+01  0.179405D+01  0.233694D+01  0.154548D+01
               221           222           223           224           225 
      1   0.145896D+01  0.154548D+01 -0.144342D+01  0.977396D+00  0.243853D+01
      2   0.124519D+01 -0.389371D+01  0.977396D+00 -0.300784D+01  0.213320D+01
      3  -0.389371D+01  0.207119D+01  0.243853D+01  0.213320D+01  0.124073D+01
               226           227           228           229           230 
      1  -0.153130D+01 -0.443752D+01 -0.654288D+00 -0.670538D+01  0.176548D+01
      2  -0.443752D+01  0.181236D+00  0.164443D+01  0.176548D+01  0.203931D+01
      3  -0.654288D+00  0.164443D+01  0.246206D+01  0.181667D+01 -0.290055D+01
               231           232           233           234           235 
      1   0.181667D+01 -0.150223D+01  0.867535D+00  0.330511D+01  0.170823D+01
      2  -0.290055D+01  0.867535D+00 -0.302328D+01  0.291799D+01  0.493617D+01
      3   0.258165D+01  0.330511D+01  0.291799D+01  0.137203D+01  0.361568D+00
               236           237           238           239           240 
      1   0.493617D+01  0.361568D+00  0.416881D+01  0.156742D+01 -0.154160D+01
      2   0.167104D+01 -0.160837D+01  0.156742D+01  0.138894D+00  0.171450D+01
      3  -0.160837D+01 -0.299866D+01 -0.154160D+01  0.171450D+01  0.421295D+00
               241           242           243           244           245 
      1   0.429455D+00 -0.179863D+01 -0.285639D+01  0.104529D+02 -0.487633D+01
      2  -0.179863D+01  0.188477D+01  0.700623D+00 -0.487633D+01  0.521700D+01
      3  -0.285639D+01  0.700623D+00 -0.353638D+01  0.704026D+00 -0.416623D+00
               246           247           248           249           250 
      1   0.704026D+00  0.860792D+01  0.159648D+02 -0.217801D+01 -0.282822D+01
      2  -0.416623D+00  0.159648D+02  0.267206D+02 -0.326419D+01 -0.246079D+01
      3   0.126229D+01 -0.217801D+01 -0.326419D+01  0.249148D+01  0.229488D+01
               251           252           253           254           255 
      1  -0.246079D+01  0.229488D+01  0.676634D+00  0.479897D+01 -0.345904D+00
      2  -0.351612D+01  0.482024D+01  0.479897D+01  0.338738D+01 -0.193490D+00
      3   0.482024D+01 -0.180192D+01 -0.345904D+00 -0.193490D+00  0.114541D+01
               256           257           258           259           260 
      1  -0.854891D+00 -0.100309D+02  0.168238D+01  0.202499D+01  0.149583D+01
      2  -0.100309D+02 -0.417545D+01  0.580632D+00  0.149583D+01 -0.799947D+00
      3   0.168238D+01  0.580632D+00  0.304358D+00  0.852278D+00 -0.715380D+00
               261           262           263           264           265 
      1   0.852278D+00 -0.282128D+01 -0.874223D+00  0.156622D+01  0.141719D+01
      2  -0.715380D+00 -0.874223D+00 -0.432842D+01  0.944900D-02  0.499809D+00
      3  -0.406521D+00  0.156622D+01  0.944900D-02 -0.950436D+00 -0.543826D+00
               266           267           268           269           270 
      1   0.499809D+00 -0.543826D+00  0.147373D+01  0.499939D+00 -0.149463D+01
      2   0.441184D+01  0.110785D+01  0.499939D+00  0.416589D+01  0.133120D+01
      3   0.110785D+01  0.598606D+00 -0.149463D+01  0.133120D+01  0.361124D+01
               271           272           273           274           275 
      1  -0.260834D+01  0.102528D+02 -0.172000D+01  0.112244D+02 -0.150795D+01
      2   0.102528D+02  0.373177D+01 -0.805171D+00 -0.150795D+01  0.185283D+01
      3  -0.172000D+01 -0.805171D+00  0.349510D+00  0.658789D+00 -0.478928D-01
               276           277           278           279           280 
      1   0.658789D+00 -0.336134D+01  0.330608D+00  0.184659D+01 -0.343706D+01
      2  -0.478928D-01  0.330608D+00  0.327896D+00  0.113888D+01 -0.115972D+01
      3   0.149242D+00  0.184659D+01  0.113888D+01 -0.353595D+00 -0.141070D+01
               281           282           283           284           285 
      1  -0.115972D+01 -0.141070D+01  0.239647D+00 -0.376681D+00  0.735906D-01
      2  -0.451833D+01  0.100099D+01 -0.376681D+00  0.165829D+01 -0.124714D+01
      3   0.100099D+01 -0.142420D+01  0.735906D-01 -0.124714D+01  0.183451D+00
               286           287           288           289           290 
      1  -0.174037D+01 -0.394071D+00 -0.165901D+01  0.276473D+01  0.210631D+01
      2  -0.394071D+00 -0.247715D+01  0.117000D+01  0.210631D+01  0.187450D+01
      3  -0.165901D+01  0.117000D+01 -0.344256D+01 -0.523300D+00 -0.363254D+00
               291           292           293           294           295 
      1  -0.523300D+00  0.141124D+01  0.272714D+01 -0.348270D+00 -0.398611D+00
      2  -0.363254D+00  0.272714D+01  0.591551D+01 -0.930918D+00 -0.415614D+00
      3   0.697020D+00 -0.348270D+00 -0.930918D+00  0.732031D+00  0.814065D+00
               296           297           298           299           300 
      1  -0.415614D+00  0.814065D+00 -0.276811D+01 -0.210755D+01 -0.523786D+00
      2  -0.678494D+00  0.145121D+01 -0.210755D+01 -0.187438D+01 -0.363273D+00
      3   0.145121D+01 -0.908830D+00 -0.523786D+00 -0.363273D+00 -0.698382D+00
               301           302           303           304           305 
      1  -0.141439D+01 -0.272607D+01 -0.350221D+00 -0.399458D+00 -0.415579D+00
      2  -0.272607D+01 -0.590846D+01 -0.930583D+00 -0.415579D+00 -0.677792D+00
      3  -0.350221D+00 -0.930583D+00 -0.733759D+00 -0.814938D+00 -0.145026D+01
               306           307           308           309           310 
      1  -0.814938D+00  0.344054D+01  0.115942D+01 -0.140950D+01 -0.242305D+00
      2  -0.145026D+01  0.115942D+01  0.451836D+01  0.100188D+01  0.376995D+00
      3  -0.909847D+00 -0.140950D+01  0.100188D+01  0.142367D+01  0.745471D-01
               311           312           313           314           315 
      1   0.376995D+00  0.745471D-01 -0.174059D+01 -0.392803D+00  0.165809D+01
      2  -0.166152D+01 -0.124683D+01 -0.392803D+00 -0.247458D+01 -0.117024D+01
      3  -0.124683D+01 -0.182694D+00  0.165809D+01 -0.117024D+01 -0.343951D+01
               316           317           318           319           320 
      1  -0.470656D+01 -0.338319D+01 -0.136099D+01 -0.408817D+01 -0.446927D+01
      2  -0.338319D+01 -0.422602D+01 -0.872472D+00 -0.446927D+01 -0.623967D+01
      3  -0.136099D+01 -0.872472D+00 -0.102490D+01 -0.134903D+01 -0.198245D+01
               321           322           323           324           325 
      1  -0.134903D+01  0.319501D+00  0.146135D+00 -0.543652D+00  0.229715D+01
      2  -0.198245D+01  0.146135D+00 -0.110309D+01 -0.113273D+01 -0.130147D+01
      3  -0.161654D+01 -0.543652D+00 -0.113273D+01 -0.643464D+00 -0.190481D+01
               326           327           328           329           330 
      1  -0.130147D+01 -0.190481D+01 -0.627417D+00  0.178139D+00  0.359300D+00
      2   0.920354D+00  0.125452D+01  0.178139D+00 -0.148494D+01 -0.149467D+01
      3   0.125452D+01  0.342370D+01  0.359300D+00 -0.149467D+01 -0.117882D+01
               331           332           333           334           335 
      1  -0.103482D+01  0.597349D+00  0.173783D+01 -0.125977D+02 -0.407538D+00
      2   0.597349D+00 -0.135928D+01 -0.183731D+01 -0.407538D+00 -0.904900D+00
      3   0.173783D+01 -0.183731D+01 -0.488921D+01 -0.340637D+01 -0.104142D+00
               336           337           338           339           340 
      1  -0.340637D+01 -0.286632D+00 -0.109102D+01  0.317121D-01 -0.202701D+01
      2  -0.104142D+00 -0.109102D+01  0.310232D+00 -0.529370D+00 -0.130213D-01
      3  -0.213595D+01  0.317121D-01 -0.529370D+00  0.186738D+00 -0.180922D+01
               341           342           343           344           345 
      1  -0.130213D-01 -0.180922D+01 -0.367648D+00  0.424081D+00 -0.103181D+01
      2   0.292162D+00  0.116704D+00  0.424081D+00  0.690436D+00 -0.589607D+00
      3   0.116704D+00 -0.112907D+01 -0.103181D+01 -0.589607D+00  0.180425D+01
               346           347           348           349           350 
      1   0.608156D+00  0.197313D+00  0.266803D+00 -0.820073D+00  0.212804D+00
      2   0.197313D+00  0.181793D+01 -0.182934D+01  0.212804D+00 -0.164128D+01
      3   0.266803D+00 -0.182934D+01  0.297095D+01 -0.113127D+00  0.236515D+01
               351           352           353           354           355 
      1  -0.113127D+00 -0.384730D+01  0.287474D+01  0.392809D+00  0.350062D+01
      2   0.236515D+01  0.287474D+01 -0.156304D+01 -0.382811D+00 -0.252867D+01
      3  -0.622523D+01  0.392809D+00 -0.382811D+00 -0.925999D+00 -0.395602D+00
               356           357           358           359           360 
      1  -0.252867D+01 -0.395602D+00  0.731650D+00 -0.804831D+00 -0.136018D+01
      2   0.567574D+01  0.447477D+00 -0.804831D+00  0.424661D+00  0.809795D+00
      3   0.447477D+00  0.564943D+00 -0.136018D+01  0.809795D+00  0.520391D+00
               361           362           363           364           365 
      1   0.618588D+01  0.234998D+01  0.329296D+00  0.203761D+01  0.109053D+01
      2   0.234998D+01  0.136395D+01 -0.312568D+00  0.109053D+01  0.789124D+00
      3   0.329296D+00 -0.312568D+00  0.230619D+01 -0.371029D-01  0.656061D+00
               366           367           368           369           370 
      1  -0.371029D-01 -0.290296D+00 -0.279650D+00  0.132263D+01 -0.182290D+00
      2   0.656061D+00 -0.279650D+00  0.384349D+00  0.576066D+00 -0.350252D+00
      3   0.796903D+00  0.132263D+01  0.576066D+00 -0.504681D-01  0.102159D+01
               371           372           373           374           375 
      1  -0.350252D+00  0.102159D+01 -0.753379D+00 -0.727975D+00  0.558828D+00
      2  -0.951297D-01 -0.157165D+00 -0.727975D+00 -0.359552D+01  0.290932D+01
      3  -0.157165D+00 -0.474460D+00  0.558828D+00  0.290932D+01 -0.429523D+01
               376           377           378           379           380 
      1   0.100841D+01  0.335459D+00 -0.101892D+01 -0.330716D+01  0.190244D+01
      2   0.335459D+00  0.210709D+01 -0.266653D+01  0.190244D+01 -0.157772D+01
      3  -0.101892D+01 -0.266653D+01  0.507444D+01  0.238397D+01 -0.127728D+01
               381           382           383           384           385 
      1   0.238397D+01  0.262600D+01 -0.193446D+01 -0.185190D+01  0.146190D+01
      2  -0.127728D+01 -0.193446D+01  0.264551D+01  0.240460D+01 -0.883736D+00
      3  -0.290985D+01 -0.185190D+01  0.240460D+01  0.267329D+01 -0.209991D+01
               386           387           388           389           390 
      1  -0.883736D+00 -0.209991D+01 -0.282147D+01 -0.753446D+00 -0.162370D+01
      2   0.145615D+01  0.126685D+01 -0.753446D+00 -0.827168D+00 -0.776372D+00
      3   0.126685D+01  0.307598D+01 -0.162370D+01 -0.776372D+00 -0.143730D+01
               391           392           393           394           395 
      1  -0.805892D+00 -0.128981D+01 -0.815779D+00 -0.326404D+01 -0.127784D+01
      2  -0.128981D+01 -0.141947D+01 -0.635901D+00 -0.127784D+01 -0.101606D+01
      3  -0.815779D+00 -0.635901D+00 -0.121867D+01 -0.169668D+01 -0.120477D+01
               396           397           398           399           400 
      1  -0.169668D+01 -0.678582D+01  0.218545D+01  0.210586D+01  0.572065D+01
      2  -0.120477D+01  0.218545D+01 -0.126901D+01 -0.633397D+00 -0.211850D+01
      3  -0.383101D+01  0.210586D+01 -0.633397D+00 -0.152158D+01 -0.177517D+01
               401           402           403           404           405 
      1  -0.211850D+01 -0.177517D+01  0.282222D+01 -0.650484D+00 -0.228181D+01
      2   0.185692D+01  0.112922D+01 -0.650484D+00  0.940739D+00  0.339183D+00
      3   0.112922D+01  0.118505D+01 -0.228181D+01  0.339183D+00  0.150708D+01
               406           407           408           409           410 
      1  -0.100445D+01 -0.650879D+00  0.998005D+00 -0.196357D+01 -0.241445D+01
      2  -0.650879D+00 -0.412531D+00  0.193067D+00 -0.241445D+01 -0.472512D+01
      3   0.998005D+00  0.193067D+00 -0.498767D+00  0.121362D+01  0.277175D+01
               411           412           413           414           415 
      1   0.121362D+01  0.248876D+01  0.129706D+01 -0.192971D+01  0.314102D+01
      2   0.277175D+01  0.129706D+01  0.282259D+01 -0.258198D+01 -0.241225D+01
      3  -0.252196D+01 -0.192971D+01 -0.258198D+01  0.311183D+01 -0.111473D+01
               416           417           418           419           420 
      1  -0.241225D+01 -0.111473D+01 -0.183867D+01  0.164385D+01  0.631708D+00
      2   0.284774D+01  0.762375D+00  0.164385D+01 -0.370749D+01 -0.131799D+01
      3   0.762375D+00  0.145075D+01  0.631708D+00 -0.131799D+01 -0.697852D+00
               421           422           423           424           425 
      1  -0.173054D+01  0.104634D+01  0.142545D+01 -0.476075D+01 -0.382863D+01
      2   0.104634D+01 -0.276893D+01 -0.126940D+01 -0.382863D+01 -0.485076D+01
      3   0.142545D+01 -0.126940D+01 -0.138999D+01  0.420122D+00  0.811852D+00
               426           427           428           429           430 
      1   0.420122D+00 -0.287611D+01 -0.322235D+01  0.517388D+00 -0.303210D-01
      2   0.811852D+00 -0.322235D+01 -0.577926D+01  0.454371D+00  0.377585D+00
      3  -0.688743D+00  0.517388D+00  0.454371D+00 -0.715613D+00 -0.529528D+00
               431           432           433           434           435 
      1   0.377585D+00 -0.529528D+00  0.127597D+01 -0.794371D+00  0.125988D+01
      2  -0.109084D+00 -0.102056D+01 -0.794371D+00  0.959305D+00 -0.486800D+00
      3  -0.102056D+01  0.639399D+00  0.125988D+01 -0.486800D+00  0.206278D+01
               436           437           438           439           440 
      1   0.772791D-01  0.496564D+00  0.380940D-01  0.117463D+01 -0.471761D+00
      2   0.496564D+00  0.755741D-01  0.870447D+00 -0.471761D+00  0.199136D+01
      3   0.380940D-01  0.870447D+00 -0.252875D+00  0.156705D+01 -0.184603D+01
               441           442           443           444           445 
      1   0.156705D+01  0.175015D+00  0.349654D+00  0.101817D+01  0.749557D+00
      2  -0.184603D+01  0.349654D+00  0.851852D-01 -0.162428D+00  0.719140D+00
      3   0.618414D+01  0.101817D+01 -0.162428D+00  0.464565D+00  0.551401D+00
               446           447           448           449           450 
      1   0.719140D+00  0.551401D+00  0.100386D+01  0.329666D+00  0.100945D+01
      2   0.360387D+01  0.290890D+01  0.329666D+00  0.210436D+01  0.266392D+01
      3   0.290890D+01  0.429320D+01  0.100945D+01  0.266392D+01  0.506451D+01
               451           452           453           454           455 
      1  -0.618801D+01 -0.235309D+01  0.323305D+00 -0.204135D+01 -0.109401D+01
      2  -0.235309D+01 -0.136764D+01 -0.317160D+00 -0.109401D+01 -0.789478D+00
      3   0.323305D+00 -0.317160D+00 -0.230355D+01 -0.403163D-01  0.654080D+00
               456           457           458           459           460 
      1  -0.403163D-01 -0.300478D+00 -0.285451D+00 -0.132279D+01  0.330372D+01
      2   0.654080D+00 -0.285451D+00  0.381395D+00 -0.580224D+00 -0.189705D+01
      3  -0.800363D+00 -0.132279D+01 -0.580224D+00 -0.590521D-01  0.238433D+01
               461           462           463           464           465 
      1  -0.189705D+01  0.238433D+01 -0.261995D+01  0.192725D+01 -0.185076D+01
      2   0.157172D+01 -0.127825D+01  0.192725D+01 -0.263996D+01  0.240433D+01
      3  -0.127825D+01  0.291530D+01 -0.185076D+01  0.240433D+01 -0.267588D+01
               466           467           468           469           470 
      1   0.146485D+01 -0.884411D+00  0.210470D+01  0.100025D+01  0.650523D+00
      2  -0.884411D+00  0.145910D+01 -0.127146D+01  0.650523D+00  0.410296D+00
      3   0.210470D+01 -0.127146D+01  0.309225D+01  0.996297D+00  0.191415D+00
               471           472           473           474           475 
      1   0.996297D+00  0.196362D+01  0.241345D+01  0.121359D+01  0.248473D+01
      2   0.191415D+00  0.241345D+01  0.472642D+01  0.277395D+01  0.129469D+01
      3   0.499002D+00  0.121359D+01  0.277395D+01  0.252279D+01  0.193082D+01
               476           477           478           479           480 
      1   0.129469D+01  0.193082D+01  0.676606D+01 -0.218537D+01  0.210875D+01
      2   0.282130D+01  0.258134D+01 -0.218537D+01  0.126745D+01 -0.636055D+00
      3   0.258134D+01  0.311348D+01  0.210875D+01 -0.636055D+00  0.152315D+01
               481           482           483           484           485 
      1  -0.571596D+01  0.211894D+01 -0.178132D+01  0.282653D+01 -0.654141D+00
      2   0.211894D+01 -0.185915D+01  0.113412D+01 -0.654141D+00  0.943808D+00
      3  -0.178132D+01  0.113412D+01 -0.119105D+01  0.228700D+01 -0.343240D+00
               486           487           488           489           490 
      1   0.228700D+01  0.283623D+01  0.756405D+00 -0.162727D+01  0.806594D+00
      2  -0.343240D+00  0.756405D+00  0.828316D+00 -0.775988D+00  0.129004D+01
      3   0.151634D+01 -0.162727D+01 -0.775988D+00  0.144001D+01 -0.815642D+00
               491           492           493           494           495 
      1   0.129004D+01 -0.815642D+00 -0.326819D+01 -0.127715D+01  0.169849D+01
      2   0.141627D+01 -0.632821D+00 -0.127715D+01 -0.101256D+01  0.120040D+01
      3  -0.632821D+00  0.121434D+01  0.169849D+01  0.120040D+01 -0.382530D+01
               496           497           498           499           500 
      1   0.126064D+02  0.399800D+00 -0.339553D+01  0.279892D+00  0.109078D+01
      2   0.399800D+00  0.903104D+00 -0.101666D+00  0.109078D+01 -0.311215D+00
      3  -0.339553D+01 -0.101666D+00  0.212850D+01  0.342719D-01 -0.527736D+00
               501           502           503           504           505 
      1   0.342719D-01 -0.201351D+01 -0.102226D-01  0.180316D+01  0.371047D+00
      2  -0.527736D+00 -0.102226D-01  0.293711D+00 -0.118548D+00 -0.425065D+00
      3  -0.187527D+00  0.180316D+01 -0.118548D+00 -0.112078D+01 -0.102919D+01
               506           507           508           509           510 
      1  -0.425065D+00 -0.102919D+01 -0.609647D+00 -0.195020D+00  0.269540D+00
      2  -0.689356D+00 -0.587786D+00 -0.195020D+00 -0.181933D+01 -0.183208D+01
      3  -0.587786D+00 -0.179972D+01  0.269540D+00 -0.183208D+01 -0.297088D+01
               511           512           513           514           515 
      1  -0.818856D+00  0.215241D+00  0.118193D+00 -0.228702D+01  0.130053D+01
      2   0.215241D+00 -0.164363D+01 -0.236684D+01  0.130053D+01 -0.917518D+00
      3   0.118193D+00 -0.236684D+01 -0.622714D+01 -0.190125D+01  0.125389D+01
               516           517           518           519           520 
      1  -0.190125D+01  0.627087D+00 -0.176524D+00  0.359154D+00 -0.103096D+01
      2   0.125389D+01 -0.176524D+00  0.148432D+01 -0.149609D+01  0.596655D+00
      3  -0.342390D+01  0.359154D+00 -0.149609D+01  0.118316D+01 -0.173633D+01
               521           522           523           524           525 
      1   0.596655D+00 -0.173633D+01  0.471438D+01  0.338574D+01 -0.136060D+01
      2  -0.136036D+01  0.184096D+01  0.338574D+01  0.422701D+01 -0.871851D+00
      3   0.184096D+01 -0.490417D+01 -0.136060D+01 -0.871851D+00  0.102390D+01
               526           527           528           529           530 
      1   0.409226D+01  0.446877D+01 -0.134886D+01  0.322951D+00  0.146957D+00
      2   0.446877D+01  0.623072D+01 -0.197808D+01  0.146957D+00 -0.109857D+01
      3  -0.134886D+01 -0.197808D+01  0.161484D+01  0.541961D+00  0.113183D+01
               531           532           533           534           535 
      1   0.541961D+00  0.383656D+01 -0.287254D+01  0.393697D+00 -0.349830D+01
      2   0.113183D+01 -0.287254D+01  0.156574D+01 -0.385125D+00  0.252842D+01
      3  -0.642588D+00  0.393697D+00 -0.385125D+00  0.925488D+00 -0.398749D+00
               536           537           538           539           540 
      1   0.252842D+01 -0.398749D+00  0.731831D+00 -0.807431D+00  0.136072D+01
      2  -0.567067D+01  0.449409D+00 -0.807431D+00  0.427807D+00 -0.811218D+00
      3   0.449409D+00 -0.565623D+00  0.136072D+01 -0.811218D+00  0.524997D+00
               541           542           543           544           545 
      1   0.476705D+01  0.383179D+01  0.422694D+00  0.287627D+01  0.322112D+01
      2   0.383179D+01  0.485179D+01  0.812639D+00  0.322112D+01  0.577074D+01
      3   0.422694D+00  0.812639D+00  0.688475D+00  0.518137D+00  0.454180D+00
               546           547           548           549           550 
      1   0.518137D+00 -0.256102D-01  0.380316D+00  0.530144D+00 -0.312500D+01
      2   0.454180D+00  0.380316D+00 -0.105084D+00  0.102236D+01  0.241114D+01
      3   0.715450D+00  0.530144D+00  0.102236D+01  0.639114D+00 -0.111425D+01
               551           552           553           554           555 
      1   0.241114D+01 -0.111425D+01  0.183722D+01 -0.163943D+01  0.633742D+00
      2  -0.284208D+01  0.765974D+00 -0.163943D+01  0.371611D+01 -0.132320D+01
      3   0.765974D+00 -0.145255D+01  0.633742D+00 -0.132320D+01  0.702771D+00
               556           557           558           559           560 
      1  -0.172855D+01  0.104825D+01 -0.142660D+01 -0.128045D+01  0.795068D+00
      2   0.104825D+01 -0.277598D+01  0.127613D+01  0.795068D+00 -0.962773D+00
      3  -0.142660D+01  0.127613D+01 -0.139918D+01  0.126283D+01 -0.488789D+00
               561           562           563           564           565 
      1   0.126283D+01 -0.762393D-01 -0.498338D+00  0.364224D-01  0.117780D+01
      2  -0.488789D+00 -0.498338D+00 -0.743404D-01  0.872172D+00 -0.473481D+00
      3  -0.206537D+01  0.364224D-01  0.872172D+00  0.255877D+00 -0.157076D+01
               566           567 
      1  -0.473481D+00 -0.157076D+01
      2   0.199445D+01  0.184588D+01
      3   0.184588D+01  0.617131D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.125156D+01 -0.744756D+01 -0.110165D+01 -0.397115D+01  0.119145D+01
      2  -0.858933D+01  0.149477D+01  0.169247D+02 -0.445223D+01  0.494720D+01
      3   0.629336D+01 -0.734423D+01 -0.313893D+01 -0.117165D+02  0.489135D+00
                 6             7             8             9            10 
      1  -0.358710D+01  0.849750D+00  0.614124D+01 -0.835763D+01  0.786738D+00
      2   0.206711D+02  0.119772D+02  0.213619D+02  0.583752D+01 -0.833350D+00
      3  -0.244786D+01  0.578059D+01  0.894413D+01 -0.219579D+02 -0.346004D+01
                11            12            13            14            15 
      1   0.619050D+01  0.117597D+01  0.132264D+01  0.542277D+00 -0.511811D+01
      2   0.315044D+01 -0.632664D+01  0.477766D+01 -0.112443D+02 -0.209422D+02
      3   0.182946D+02 -0.616308D+01  0.366696D+02  0.455262D+01  0.106937D+02
                16            17            18            19            20 
      1   0.486404D+01  0.607777D+01  0.357583D+01 -0.926464D-01 -0.697906D+01
      2  -0.235705D+02 -0.188116D+02  0.465685D+00  0.369075D+01  0.462657D+01
      3  -0.107425D+02 -0.633192D+01  0.186604D+02 -0.291576D+02 -0.578818D+02
                21            22            23            24            25 
      1   0.180724D+00  0.799786D+00 -0.264325D+01 -0.820570D+00  0.761364D+01
      2   0.567953D+01 -0.107738D+02  0.812807D+01  0.689125D+01  0.641758D+01
      3  -0.525060D+01  0.390574D+02 -0.718325D+02 -0.932943D+01  0.901330D+01
                26            27            28            29            30 
      1   0.313073D+01  0.147208D+01 -0.518718D+01 -0.369402D+01  0.180117D+01
      2   0.293514D+01  0.355642D+01 -0.137384D+02  0.113523D+01 -0.914946D+01
      3  -0.841613D+01 -0.131129D+02  0.515895D+02 -0.532148D+02 -0.622474D+01
                31            32            33            34            35 
      1   0.690378D+01 -0.534181D+01  0.566862D+01  0.383479D+01  0.554100D+01
      2   0.712061D+01 -0.341458D+01 -0.286581D+01 -0.941205D+01  0.749927D+01
      3  -0.679231D+02 -0.168328D+02 -0.240126D+01  0.882431D+00 -0.104289D+02
                36            37            38            39            40 
      1   0.357172D+00  0.541318D+01 -0.313844D+01  0.333927D+01 -0.690903D+01
      2   0.105383D+01 -0.551588D+01  0.103967D+02 -0.550853D+01  0.111259D+02
      3  -0.127477D+02 -0.985159D+01 -0.186815D+01 -0.108073D+02  0.204814D+02
                41            42            43            44            45 
      1   0.471371D+01 -0.109747D+02  0.108232D+02  0.158266D+02 -0.505927D+01
      2  -0.295248D+01  0.913819D+01 -0.342798D+02 -0.837794D+01  0.733897D+01
      3   0.119689D+02  0.138503D+02 -0.186421D+02  0.106550D+02 -0.550933D+01
                46            47            48            49            50 
      1  -0.106195D+01  0.368631D+01 -0.855017D+01  0.608927D+01 -0.812206D+01
      2   0.723598D+01 -0.693301D+01  0.205055D+02  0.610521D+00  0.348981D+01
      3   0.166665D+02  0.278643D+01  0.641024D+01  0.132585D+02 -0.136892D+02
                51            52            53            54            55 
      1  -0.315682D+01 -0.133895D+02  0.202975D+01  0.665310D+01 -0.688423D+01
      2  -0.535510D+01  0.205116D+02 -0.182284D+01  0.185110D+00  0.143822D+02
      3  -0.969986D+01  0.712855D+01 -0.486254D+01  0.148139D+02  0.261205D+02
                56            57            58            59            60 
      1   0.612617D+01 -0.562898D+01  0.701328D+01 -0.579106D+00 -0.719184D+00
      2  -0.327900D+01  0.221582D+02 -0.645538D+01  0.157343D+02  0.159612D+02
      3  -0.925031D+01  0.111655D+02 -0.183921D+02 -0.120904D+02 -0.218455D+02
                61            62            63            64            65 
      1  -0.674867D+01  0.584733D+01  0.418697D+01  0.576167D+01  0.555981D+01
      2   0.162437D+02  0.131480D+02 -0.962043D+01  0.174497D+02 -0.272005D+01
      3   0.107042D+02 -0.184825D+02 -0.930484D+01 -0.743204D+02  0.366773D+02
                66            67            68            69            70 
      1   0.174651D+01 -0.153831D+01  0.704396D+00 -0.434681D+01  0.253655D+01
      2   0.107405D+02  0.467965D+01  0.209087D+01  0.374879D+01  0.726073D+01
      3   0.906371D+01 -0.263258D+02 -0.269406D+02 -0.194483D+01 -0.794337D+01
                71            72            73            74            75 
      1  -0.557768D+01 -0.119828D+01  0.345941D-02  0.408948D-03  0.126385D+01
      2   0.315459D+01  0.134738D+01 -0.721516D-01  0.630812D-02 -0.149294D+02
      3   0.251970D+01 -0.285092D+01  0.165089D+02  0.329243D+02 -0.104687D-01
                76            77            78            79            80 
      1   0.766121D-01 -0.128298D-02  0.156493D+01  0.441482D+01  0.203338D+02
      2   0.144782D-01 -0.184045D-01  0.224701D+00 -0.856721D+02  0.261504D+01
      3   0.196141D+03 -0.166793D+02 -0.329202D-01 -0.410741D-01 -0.397987D-01
                81            82            83            84            85 
      1  -0.227149D-02  0.901106D+01  0.143368D+00 -0.190092D+01  0.202151D+01
      2   0.846886D-02 -0.172629D+02 -0.575967D+01  0.102715D+02  0.791189D+01
      3   0.874184D+00  0.127822D+03  0.191864D+02  0.669938D+01 -0.394425D+02
                86            87            88            89            90 
      1   0.166680D+01 -0.291388D+01 -0.133981D+02 -0.663755D+01 -0.983779D+00
      2   0.621622D+00 -0.161723D+01 -0.253156D+01 -0.398196D+01 -0.160919D+01
      3   0.133600D+02 -0.306074D+00 -0.117147D+02 -0.344952D+01  0.541788D+01
                91            92            93            94            95 
      1  -0.738120D+01  0.107337D+01 -0.925103D+00 -0.485897D+01  0.727803D+01
      2   0.128143D+02  0.300008D+01 -0.101245D+02 -0.628506D+01 -0.116860D+02
      3  -0.115744D+03  0.437130D+01 -0.255471D+01  0.705156D+02  0.145238D+03
                96            97            98            99           100 
      1  -0.133021D+01 -0.540034D+01  0.120715D+02  0.169626D+01  0.165989D+01
      2  -0.907990D+01 -0.256675D+02 -0.235474D+02 -0.701026D+01 -0.866324D+00
      3   0.184858D+02  0.138129D+02  0.217614D+02  0.241753D+02  0.169328D+02
               101           102           103           104           105 
      1   0.248799D+01 -0.327075D+01 -0.172462D+01 -0.442858D+01  0.470519D+00
      2  -0.108757D+01 -0.291084D+01  0.787268D+01  0.488214D+01 -0.719298D+00
      3   0.162627D+02  0.466291D+00 -0.480851D+02 -0.429669D+02 -0.703967D+01
               106           107           108           109           110 
      1   0.569468D+01  0.131820D+02  0.609985D+00  0.679054D+01 -0.901797D+00
      2  -0.771939D+01  0.485708D+01 -0.172653D+01  0.452844D+01 -0.198976D+00
      3  -0.105739D+02 -0.154753D+01  0.614851D+00 -0.122977D+02 -0.186615D+02
               111           112           113           114           115 
      1   0.392220D+01 -0.399615D+01  0.461390D+01 -0.473666D+01  0.507728D+01
      2   0.515226D+01 -0.172782D+01  0.268405D+01 -0.302135D+01  0.285598D+01
      3  -0.544263D+01  0.905939D+01  0.161476D+02 -0.222413D+01 -0.613837D+01
               116           117           118           119           120 
      1  -0.458166D+01  0.131931D+02 -0.456177D+01  0.626900D+01 -0.117132D+02
      2  -0.376136D+01  0.128467D+02  0.120746D+01 -0.693216D+00  0.115952D+02
      3  -0.155235D+02 -0.362174D+00  0.113325D+02 -0.195233D+02  0.638378D+01
               121           122           123           124           125 
      1   0.376224D+01 -0.833999D+01  0.465254D+00 -0.113227D+02  0.984154D+01
      2  -0.193206D+01  0.651259D+01 -0.398274D+00  0.672268D+01  0.111748D+00
      3  -0.797680D+01 -0.641030D+01 -0.129749D+02  0.977942D+01 -0.136571D+02
               126           127           128           129           130 
      1   0.146822D+02  0.557979D+01 -0.479878D+01  0.639683D+01 -0.873840D+01
      2  -0.131570D+02 -0.420080D+01  0.670542D+01 -0.150162D+02  0.725481D+01
      3   0.149441D+02 -0.284552D+02  0.842715D+01 -0.125711D+02  0.322149D+02
               131           132           133           134           135 
      1   0.206862D+01 -0.208996D+01  0.917220D+01  0.439767D+01 -0.618926D+01
      2  -0.169688D+02 -0.205056D+02 -0.277338D+02 -0.236531D+02  0.136687D+02
      3   0.119890D+02  0.249243D+02 -0.953523D+01  0.219585D+02  0.151007D+02
               136           137           138           139           140 
      1   0.141908D+02 -0.249529D+01  0.689648D+01 -0.656703D+01  0.631671D-01
      2  -0.191994D+02 -0.504060D+01 -0.287568D+01 -0.633027D+01 -0.162102D+02
      3  -0.187411D+02  0.706494D+00 -0.833245D+01  0.120344D+02  0.520269D+01
               141           142           143           144           145 
      1  -0.165456D+02  0.439096D+01 -0.692958D+01 -0.777525D+01 -0.574419D+01
      2  -0.147820D+02 -0.881816D+01 -0.123149D+02  0.129185D+02 -0.174738D+02
      3   0.181504D+02 -0.440156D+01  0.147260D+02  0.867259D+01 -0.743488D+02
               146           147           148           149           150 
      1  -0.552307D+01  0.174250D+01  0.150479D+01 -0.756802D+00 -0.433814D+01
      2   0.275080D+01  0.107392D+02 -0.471641D+01 -0.210125D+01  0.374885D+01
      3   0.366677D+02 -0.906681D+01 -0.263417D+02 -0.269133D+02  0.196886D+01
               151           152           153           154           155 
      1   0.255328D+01 -0.557055D+01  0.119940D+01  0.521244D+01  0.367469D+01
      2   0.727997D+01  0.314576D+01 -0.135890D+01  0.137868D+02 -0.115725D+01
      3   0.800707D+01 -0.247156D+01 -0.284693D+01  0.517300D+02 -0.532174D+02
               156           157           158           159           160 
      1   0.180646D+01 -0.693662D+01  0.539169D+01  0.565866D+01  0.385592D+01
      2  -0.914161D+01 -0.710265D+01  0.344246D+01 -0.286908D+01 -0.942795D+01
      3   0.622466D+01 -0.679209D+02 -0.168868D+02  0.241783D+01 -0.881716D+00
               161           162           163           164           165 
      1   0.553411D+01 -0.355049D+00 -0.544612D+01  0.312143D+01  0.333095D+01
      2   0.750206D+01 -0.107466D+01  0.556281D+01 -0.103792D+02 -0.548315D+01
      3   0.104628D+02 -0.127615D+02 -0.991209D+01 -0.185998D+01  0.108149D+02
               166           167           168           169           170 
      1   0.689786D+01 -0.470799D+01 -0.109503D+02  0.107960D+02  0.158512D+02
      2  -0.110968D+02  0.294717D+01  0.909503D+01 -0.342342D+02 -0.841470D+01
      3   0.204848D+02  0.119519D+02 -0.138403D+02  0.186863D+02 -0.106524D+02
               171           172           173           174           175 
      1   0.509621D+01  0.691329D+01 -0.611688D+01 -0.561574D+01 -0.698975D+01
      2  -0.739823D+01 -0.144379D+02  0.324262D+01  0.221013D+02  0.637581D+01
      3  -0.544581D+01  0.261745D+02 -0.924258D+01 -0.111431D+02 -0.183795D+02
               176           177           178           179           180 
      1   0.585160D+00 -0.746110D+00 -0.672163D+01  0.582143D+01 -0.420909D+01
      2  -0.157140D+02  0.160105D+02  0.161624D+02  0.131833D+02  0.969425D+01
      3  -0.120553D+02  0.218024D+02 -0.106393D+02  0.185014D+02 -0.937872D+01
               181           182           183           184           185 
      1  -0.791463D+00 -0.620354D+01  0.118221D+01 -0.132914D+01 -0.553191D+00
      2   0.871342D+00 -0.313866D+01 -0.630602D+01 -0.474608D+01  0.112061D+02
      3  -0.352339D+01  0.182923D+02  0.614544D+01  0.366743D+02  0.457697D+01
               186           187           188           189           190 
      1  -0.511422D+01  0.487140D+01  0.606877D+01 -0.358360D+01  0.843778D-01
      2  -0.209663D+02 -0.235586D+02 -0.188353D+02 -0.508690D+00 -0.368126D+01
      3  -0.106439D+02  0.107259D+02  0.638581D+01  0.186771D+02 -0.291658D+02
               191           192           193           194           195 
      1   0.696927D+01  0.181751D+00 -0.775586D+00  0.260507D+01 -0.815688D+00
      2  -0.461220D+01  0.568023D+01  0.107835D+02 -0.815489D+01  0.690768D+01
      3  -0.578836D+02  0.525091D+01  0.390841D+02 -0.718728D+02  0.932190D+01
               196           197           198           199           200 
      1   0.762084D+01  0.315136D+01 -0.146843D+01  0.123656D+01  0.744971D+01
      2   0.641147D+01  0.293511D+01 -0.356804D+01  0.850296D+01 -0.151737D+01
      3  -0.907675D+01  0.837789D+01 -0.131148D+02  0.633078D+01 -0.731570D+01
               201           202           203           204           205 
      1  -0.112525D+01  0.398009D+01 -0.117378D+01 -0.358453D+01  0.834326D+00
      2   0.169206D+02  0.443262D+01 -0.491205D+01  0.206800D+02  0.119853D+02
      3   0.317397D+01 -0.117152D+02  0.453460D+00  0.241021D+01 -0.573382D+01
               206           207           208           209           210 
      1   0.616028D+01  0.837056D+01  0.109574D+01 -0.368658D+01 -0.853031D+01
      2   0.213717D+02 -0.579803D+01 -0.728615D+01  0.691851D+01  0.204763D+02
      3  -0.896840D+01 -0.219494D+02  0.166873D+02  0.278234D+01 -0.643084D+01
               211           212           213           214           215 
      1  -0.609115D+01  0.812662D+01 -0.317425D+01 -0.133788D+02  0.201067D+01
      2  -0.619754D+00 -0.350430D+01 -0.532951D+01  0.204910D+02 -0.178479D+01
      3   0.132681D+02 -0.136633D+02  0.971626D+01 -0.716047D+01  0.488105D+01
               216           217           218           219           220 
      1  -0.669216D+01 -0.141926D+02  0.254595D+01  0.685139D+01  0.662097D+01
      2  -0.101175D+00  0.192465D+02  0.509909D+01 -0.283528D+01  0.638239D+01
      3   0.147630D+02 -0.187732D+02  0.773050D+00  0.828186D+01  0.121080D+02
               221           222           223           224           225 
      1  -0.110007D+00 -0.165348D+02  0.433962D+01 -0.692739D+01  0.781930D+01
      2   0.161717D+02 -0.148031D+02 -0.875152D+01 -0.123413D+02 -0.129352D+02
      3   0.514202D+01 -0.181645D+02  0.434639D+01 -0.147306D+02  0.874661D+01
               226           227           228           229           230 
      1  -0.560639D+01  0.478170D+01  0.638047D+01  0.870702D+01 -0.207086D+01
      2   0.427100D+01 -0.665956D+01 -0.149646D+02 -0.718749D+01  0.169305D+02
      3  -0.285256D+02  0.844471D+01  0.125492D+02  0.322278D+02  0.119863D+02
               231           232           233           234           235 
      1  -0.203864D+01  0.914646D+01  0.443964D+01  0.621542D+01  0.461745D+01
      2  -0.205700D+02 -0.276556D+02 -0.237104D+02 -0.137270D+02 -0.122795D+01
      3  -0.248589D+02  0.949189D+01 -0.219238D+02  0.151871D+02  0.114057D+02
               236           237           238           239           240 
      1  -0.625133D+01 -0.116856D+02 -0.374694D+01  0.834235D+01  0.432463D+00
      2   0.665892D+00  0.115604D+02  0.191348D+01 -0.651239D+01 -0.364081D+00
      3  -0.195102D+02 -0.640786D+01 -0.797850D+01 -0.639194D+01  0.129601D+02
               241           242           243           244           245 
      1  -0.113010D+02  0.980304D+01 -0.147489D+02  0.735008D+01 -0.105135D+01
      2   0.668503D+01  0.144682D+00  0.132051D+02 -0.128245D+02 -0.299377D+01
      3  -0.982269D+01  0.136182D+02  0.148783D+02 -0.115735D+03  0.430737D+01
               246           247           248           249           250 
      1  -0.918734D+00  0.484922D+01 -0.727788D+01 -0.133142D+01 -0.538677D+01
      2  -0.101214D+02  0.624398D+01  0.116934D+02 -0.909144D+01 -0.256309D+02
      3   0.256615D+01  0.703528D+02  0.145308D+03 -0.184794D+02 -0.137912D+02
               251           252           253           254           255 
      1   0.120810D+02 -0.169903D+01 -0.165931D+01 -0.249443D+01 -0.327226D+01
      2  -0.235430D+02  0.700436D+01  0.869524D+00  0.108039D+01 -0.291291D+01
      3  -0.217428D+02  0.241707D+02  0.169279D+02  0.162959D+02 -0.470787D+00
               256           257           258           259           260 
      1   0.171738D+01  0.442996D+01  0.469267D+00  0.568368D+01  0.131814D+02
      2  -0.786606D+01 -0.488403D+01 -0.725513D+00 -0.772719D+01  0.485593D+01
      3  -0.480527D+02 -0.429960D+02  0.703832D+01  0.105772D+02  0.156971D+01
               261           262           263           264           265 
      1  -0.617324D+00 -0.679200D+01  0.902548D+00  0.392647D+01  0.399349D+01
      2   0.172098D+01 -0.452623D+01  0.205308D+00  0.515639D+01  0.173020D+01
      3   0.613712D+00 -0.123011D+02 -0.187069D+02  0.543880D+01  0.904205D+01
               266           267           268           269           270 
      1  -0.460965D+01 -0.474018D+01  0.507816D+01 -0.458041D+01 -0.131875D+02
      2  -0.267510D+01 -0.301684D+01  0.285719D+01 -0.376229D+01 -0.128444D+02
      3   0.160943D+02  0.221263D+01  0.612383D+01  0.155031D+02 -0.363672D+00
               271           272           273           274           275 
      1  -0.900354D+01 -0.138776D+00 -0.190915D+01 -0.204287D+01 -0.163729D+01
      2   0.172801D+02  0.574369D+01  0.102784D+02 -0.788526D+01 -0.612445D+00
      3   0.127856D+03  0.192220D+02 -0.670755D+01 -0.393783D+02  0.133670D+02
               276           277           278           279           280 
      1  -0.291839D+01 -0.133962D+02 -0.665439D+01  0.985791D+00  0.729830D+01
      2  -0.161743D+01 -0.255624D+01 -0.398942D+01  0.160680D+01  0.408014D+00
      3   0.324685D+00  0.116828D+02  0.344473D+01  0.542734D+01 -0.146181D+02
               281           282           283           284           285 
      1   0.229422D+01  0.449945D+01 -0.185086D+01  0.128922D+01 -0.116887D+01
      2  -0.310877D+01  0.561113D+01  0.462709D+00  0.251839D+01 -0.103593D+01
      3  -0.210966D+02 -0.127603D+01  0.241372D+01  0.425429D+01 -0.412807D+01
               286           287           288           289           290 
      1   0.566356D+01  0.104400D+00  0.112484D+02  0.173786D+00 -0.284348D+00
      2   0.196435D+01 -0.287956D+01  0.107589D+02  0.403390D+01  0.225012D+01
      3  -0.503444D+01 -0.100162D+02 -0.175429D+01  0.248499D+02  0.123417D+02
               291           292           293           294           295 
      1  -0.352060D+01 -0.808530D+00 -0.119718D+01 -0.600264D+01 -0.296522D+01
      2  -0.130634D+00  0.306156D+01  0.417249D+01 -0.106456D+01 -0.352156D+01
      3  -0.310400D+01  0.223645D+02  0.275778D+02 -0.410260D+01 -0.440590D+01
               296           297           298           299           300 
      1  -0.309300D+01  0.291578D+01 -0.174260D+00  0.280496D+00 -0.352177D+01
      2  -0.407929D+01  0.268151D+01 -0.403885D+01 -0.225343D+01 -0.138183D+00
      3  -0.335849D+01  0.800878D+01  0.248597D+02  0.123285D+02  0.311040D+01
               301           302           303           304           305 
      1   0.805967D+00  0.119469D+01 -0.599647D+01 -0.296803D+01 -0.309191D+01
      2  -0.306300D+01 -0.416497D+01 -0.107083D+01 -0.352254D+01 -0.407453D+01
      3   0.223669D+02  0.275501D+02  0.409193D+01  0.440518D+01  0.335428D+01
               306           307           308           309           310 
      1  -0.291675D+01 -0.729733D+01 -0.229290D+01  0.449918D+01  0.185799D+01
      2  -0.268366D+01 -0.398603D+00  0.311508D+01  0.561196D+01 -0.458203D+00
      3   0.800610D+01 -0.146316D+02 -0.210886D+02  0.127183D+01  0.242081D+01
               311           312           313           314           315 
      1  -0.127718D+01 -0.117301D+01  0.565997D+01  0.996700D-01 -0.112404D+02
      2  -0.251752D+01 -0.103298D+01  0.195993D+01 -0.287965D+01 -0.107481D+02
      3   0.425995D+01  0.411679D+01  0.503667D+01  0.999656D+01 -0.175566D+01
               316           317           318           319           320 
      1   0.140194D+01  0.554648D+01 -0.233262D+01  0.196653D+01  0.414023D+01
      2  -0.151370D+01 -0.131584D+01  0.487550D+01  0.114417D+01  0.373283D+01
      3  -0.416969D+01 -0.137343D+02 -0.126058D+01 -0.897517D+01 -0.196141D+02
               321           322           323           324           325 
      1  -0.396718D+01  0.214537D+00  0.230665D+00  0.901431D+00 -0.223515D+01
      2   0.718800D+01  0.816981D+00  0.472701D+01  0.253287D+01  0.155891D+02
      3  -0.626879D+01 -0.585194D+00 -0.582254D+01 -0.427028D+01 -0.135975D+02
               326           327           328           329           330 
      1  -0.957517D-02  0.680422D+01 -0.100990D+00 -0.114106D+01 -0.123496D+01
      2  -0.742236D+01 -0.175669D+02 -0.288115D+01  0.764747D+01  0.592476D+01
      3   0.629532D+01  0.109731D+02  0.385750D+01 -0.720481D+01 -0.791617D+01
               331           332           333           334           335 
      1   0.304382D+01 -0.244375D+00 -0.813494D+01 -0.643157D+00  0.334790D+01
      2  -0.125232D+02  0.977809D+01  0.250085D+02 -0.401536D+01 -0.186562D+00
      3   0.644301D+01 -0.752590D+01 -0.137860D+02 -0.195590D-01 -0.847115D+01
               336           337           338           339           340 
      1  -0.796584D+00  0.280716D+01  0.100458D+01 -0.653807D+00 -0.211485D+00
      2   0.945737D+01 -0.126744D+01  0.653845D+00 -0.893255D+00  0.628706D+01
      3   0.639246D+00 -0.444339D+01  0.131442D+01 -0.262741D+01  0.122229D+01
               341           342           343           344           345 
      1   0.718786D+00 -0.157404D+01 -0.136317D+01 -0.267262D+01  0.135013D+01
      2  -0.101838D+01  0.355434D+01  0.648016D+01  0.417685D+01 -0.110981D+02
      3   0.789774D+00  0.130938D+01  0.245237D+01  0.349196D+01 -0.329070D+01
               346           347           348           349           350 
      1  -0.121858D+01 -0.595418D+01  0.337002D+01 -0.887467D+00  0.550095D+01
      2   0.849136D+00  0.109282D+02 -0.161854D+02 -0.350638D+01 -0.130428D+02
      3   0.313570D+01  0.112125D+02 -0.103149D+02  0.229509D+00 -0.884889D+01
               351           352           353           354           355 
      1  -0.664015D+01 -0.122680D+01 -0.253814D+00  0.178297D+01  0.116805D+01
      2   0.339736D+02 -0.262333D+01  0.183043D+01  0.613233D+01  0.256578D+01
      3   0.140671D+02  0.114495D+02 -0.852836D+01 -0.160302D+01 -0.917061D+01
               356           357           358           359           360 
      1  -0.882373D+00 -0.244147D+01  0.463082D-01  0.193347D+01 -0.993444D+00
      2  -0.239827D+01 -0.396027D+01  0.578791D+01 -0.388657D+01 -0.290731D+01
      3   0.315211D+02  0.209684D+01 -0.396149D+01  0.233750D+01  0.412515D+01
               361           362           363           364           365 
      1   0.753837D+01  0.352787D+01  0.754762D+00  0.461234D+01  0.368347D+01
      2  -0.240838D+02 -0.734471D+01 -0.796527D+01 -0.752356D+01 -0.695896D+01
      3   0.956954D+01  0.351376D+01 -0.162840D+01  0.580356D+01  0.325112D+01
               366           367           368           369           370 
      1   0.874622D+00  0.632683D+00  0.241979D+01  0.121007D+01 -0.390586D+00
      2  -0.260068D+01 -0.638931D+01 -0.141168D+01 -0.335606D+01 -0.499442D+01
      3   0.248445D+01 -0.106122D+01  0.137236D+01  0.198434D+01 -0.933770D+00
               371           372           373           374           375 
      1  -0.914957D+00 -0.847560D+00 -0.162290D+01 -0.118698D+02  0.425276D+01
      2   0.197035D+01  0.550119D+00  0.126430D+01 -0.122801D+02  0.194017D+02
      3  -0.878595D+00 -0.143627D+01 -0.964354D+00 -0.161133D+02  0.127015D+02
               376           377           378           379           380 
      1   0.240729D+00  0.751448D+01 -0.424446D+01  0.784657D+01 -0.655752D+01
      2   0.216582D+00  0.116067D+02 -0.215473D+02 -0.240258D+01  0.632757D+00
      3  -0.330797D+00  0.916086D+01 -0.112893D+02  0.933181D+01 -0.924583D+01
               381           382           383           384           385 
      1  -0.499018D+01 -0.708488D+01  0.111335D+02  0.729012D+01 -0.417972D+01
      2   0.955215D+01 -0.125707D+00 -0.703310D+01 -0.829038D+01  0.363109D+01
      3  -0.718266D+01 -0.751059D+01  0.144013D+02  0.117154D+02 -0.354854D+01
               386           387           388           389           390 
      1   0.638014D+01  0.558962D+01 -0.345727D+01 -0.158848D+01 -0.364519D+01
      2  -0.353385D+01 -0.932630D+01  0.126406D+02  0.597062D+01  0.129976D+02
      3   0.753336D+01  0.682382D+01  0.670009D-01 -0.503571D+01 -0.235592D+01
               391           392           393           394           395 
      1  -0.261351D+01 -0.191425D+01 -0.416465D+01 -0.371074D+01 -0.176033D+01
      2   0.576756D+01  0.541693D+01  0.100516D+02  0.121180D+02  0.929211D+01
      3  -0.579793D+01 -0.758092D+01 -0.357365D+01 -0.245630D+01 -0.622811D+01
               396           397           398           399           400 
      1  -0.956954D+01  0.631555D+01 -0.339148D+01 -0.263834D+01 -0.613520D+01
      2   0.317407D+02 -0.587071D+01  0.248377D+01  0.968228D+01  0.526677D+01
      3  -0.570006D+01  0.244089D+02 -0.142562D+02 -0.796385D+01 -0.218884D+02
               401           402           403           404           405 
      1   0.485645D+01  0.196834D+01 -0.454920D+01  0.262964D+01  0.254645D+01
      2  -0.517955D+01 -0.732006D+01  0.103545D+02 -0.149269D+01 -0.776053D+01
      3   0.179630D+02  0.106294D+02 -0.848745D+01  0.843452D+01  0.595611D+01
               406           407           408           409           410 
      1   0.896696D+00 -0.558395D+00 -0.689147D+00 -0.885554D+00 -0.221494D+01
      2  -0.592452D+01 -0.917564D+00  0.294023D+01 -0.480724D+01 -0.166530D+02
      3  -0.281010D+01 -0.300209D+01 -0.295261D+00 -0.109513D+02 -0.297456D+02
               411           412           413           414           415 
      1  -0.285778D+01 -0.165980D+01  0.814277D+00  0.306223D+01 -0.640088D+01
      2   0.167452D+02  0.802892D+01  0.160239D+02 -0.189980D+02  0.142129D+01
      3   0.173413D+02  0.339916D+01  0.184392D+02 -0.147078D+02 -0.244911D+02
               416           417           418           419           420 
      1   0.465427D+01  0.717357D+01  0.433679D+01 -0.716910D+01 -0.509807D+01
      2  -0.484913D+00 -0.242031D+01 -0.684696D+00  0.272132D+01  0.813233D+00
      3   0.188517D+02  0.814620D+01  0.164459D+02 -0.200014D+02 -0.790076D+01
               421           422           423           424           425 
      1   0.618851D+01 -0.494435D+01 -0.681498D+01 -0.985609D+00 -0.584786D-01
      2  -0.466080D+01  0.318833D+01  0.276210D+01  0.207544D+01 -0.296761D+00
      3   0.126403D+02 -0.139721D+02 -0.109675D+02  0.513966D+01 -0.586823D+01
               426           427           428           429           430 
      1  -0.357446D+01 -0.331123D+00 -0.265662D+01 -0.351770D+01 -0.147885D+01
      2   0.371132D+01  0.910677D+00  0.515012D+00  0.289309D+01  0.738649D+00
      3   0.169906D+01  0.125474D+01 -0.108132D+02 -0.356989D+00  0.121416D+01
               431           432           433           434           435 
      1  -0.227626D+01  0.167814D+01  0.405587D+01 -0.429087D+00  0.769577D+01
      2   0.302260D+01 -0.190779D+01 -0.660276D+01  0.209531D+01 -0.732255D+01
      3  -0.239979D+01 -0.215415D+01 -0.843450D+01  0.560304D+01 -0.728215D+01
               436           437           438           439           440 
      1   0.138219D+00  0.327770D+01 -0.389785D+00  0.559140D+01 -0.195309D+01
      2  -0.260986D+00 -0.326187D+01  0.113037D+01 -0.907811D+01  0.690567D+01
      3   0.310871D+01 -0.145735D+01  0.299416D+01 -0.800555D+01  0.824082D+01
               441           442           443           444           445 
      1   0.234334D+02  0.393637D+00  0.871420D+00 -0.852824D+00  0.159374D+01
      2  -0.211927D+02  0.500091D+01 -0.199858D+01  0.510850D+00 -0.129312D+01
      3  -0.146918D+02 -0.935639D+00 -0.830840D+00  0.145802D+01 -0.922301D+00
               446           447           448           449           450 
      1   0.119102D+02  0.424658D+01  0.231743D+00  0.750662D+01  0.424492D+01
      2   0.123024D+02  0.193996D+02  0.185438D+00  0.116014D+02  0.215163D+02
      3  -0.161383D+02 -0.126924D+02  0.358156D+00 -0.913851D+01 -0.112748D+02
               451           452           453           454           455 
      1  -0.754899D+01 -0.353210D+01  0.742157D+00 -0.462561D+01 -0.368609D+01
      2   0.240544D+02  0.732765D+01 -0.793198D+01  0.752295D+01  0.695782D+01
      3   0.957177D+01  0.352747D+01  0.164991D+01  0.581502D+01  0.324595D+01
               456           457           458           459           460 
      1   0.870325D+00  0.622574D+00  0.241695D+01 -0.121048D+01 -0.783139D+01
      2  -0.260078D+01 -0.636492D+01 -0.141383D+01  0.331838D+01  0.239869D+01
      3  -0.247391D+01  0.108798D+01 -0.135668D+01  0.199881D+01  0.929791D+01
               461           462           463           464           465 
      1   0.654612D+01 -0.500206D+01  0.706096D+01 -0.111115D+02  0.730159D+01
      2  -0.643080D+00  0.957013D+01  0.118895D+00  0.704080D+01 -0.829002D+01
      3  -0.922160D+01  0.718247D+01 -0.746227D+01  0.143739D+02 -0.116999D+02
               466           467           468           469           470 
      1  -0.418376D+01  0.639353D+01 -0.561786D+01 -0.888031D+00  0.560872D+00
      2   0.363628D+01 -0.354198D+01  0.938829D+01  0.591575D+01  0.904516D+00
      3   0.352975D+01 -0.758338D+01  0.683171D+01 -0.281156D+01 -0.298915D+01
               471           472           473           474           475 
      1  -0.688839D+00  0.894660D+00  0.223538D+01 -0.284132D+01 -0.165784D+01
      2   0.294133D+01  0.479744D+01  0.166609D+02  0.167455D+02  0.803535D+01
      3   0.301410D+00 -0.109433D+02 -0.297563D+02 -0.173552D+02 -0.339484D+01
               476           477           478           479           480 
      1   0.828254D+00 -0.305007D+01 -0.632105D+01  0.339873D+01 -0.264487D+01
      2   0.160182D+02  0.189988D+02  0.588673D+01 -0.249395D+01  0.968488D+01
      3  -0.184383D+02 -0.147032D+02  0.243591D+02 -0.142322D+02  0.797822D+01
               481           482           483           484           485 
      1   0.615085D+01 -0.487516D+01  0.198585D+01 -0.456033D+01  0.264584D+01
      2  -0.529549D+01  0.520723D+01 -0.735029D+01  0.103739D+02 -0.151635D+01
      3  -0.218719D+02  0.179736D+02 -0.106708D+02  0.850907D+01 -0.846315D+01
               486           487           488           489           490 
      1  -0.256292D+01  0.346283D+01  0.158738D+01 -0.365057D+01  0.261714D+01
      2   0.781567D+01 -0.126842D+02 -0.597431D+01  0.130300D+02 -0.577535D+01
      3   0.599005D+01  0.708185D-01 -0.504226D+01  0.234992D+01 -0.580270D+01
               491           492           493           494           495 
      1   0.190973D+01 -0.415126D+01 -0.371700D+01 -0.175218D+01  0.954664D+01
      2  -0.539933D+01  0.100226D+02  0.121527D+02  0.926309D+01 -0.317093D+02
      3  -0.756142D+01  0.355232D+01  0.245450D+01  0.621041D+01 -0.566461D+01
               496           497           498           499           500 
      1   0.646725D+00 -0.334442D+01 -0.792928D+00 -0.280322D+01 -0.100146D+01
      2   0.405203D+01  0.186587D+00  0.945379D+01  0.127078D+01 -0.647986D+00
      3   0.230750D-02 -0.846688D+01 -0.648136D+00 -0.444782D+01  0.131693D+01
               501           502           503           504           505 
      1  -0.657744D+00 -0.210075D+00  0.715016D+00  0.157066D+01  0.136322D+01
      2  -0.898189D+00  0.628463D+01 -0.102439D+01 -0.352481D+01 -0.645742D+01
      3   0.261898D+01 -0.123301D+01 -0.803840D+00  0.131687D+01  0.245857D+01
               506           507           508           509           510 
      1   0.266829D+01  0.134095D+01  0.120966D+01  0.594480D+01  0.336736D+01
      2  -0.416786D+01 -0.110734D+02 -0.835342D+00 -0.109409D+02 -0.161889D+02
      3   0.349232D+01  0.328391D+01  0.312253D+01  0.112330D+02  0.103391D+02
               511           512           513           514           515 
      1  -0.893519D+00  0.550572D+01  0.662391D+01  0.222694D+01  0.986553D-02
      2  -0.347718D+01 -0.130557D+02 -0.339918D+02 -0.155564D+02  0.742179D+01
      3  -0.243242D+00  0.887289D+01  0.140840D+02 -0.135584D+02  0.628402D+01
               516           517           518           519           520 
      1   0.680213D+01  0.100818D+00  0.114038D+01 -0.123861D+01  0.303447D+01
      2  -0.175809D+02  0.287580D+01 -0.765642D+01  0.594485D+01 -0.125156D+02
      3  -0.109598D+02  0.384547D+01 -0.720032D+01  0.792777D+01 -0.643634D+01
               521           522           523           524           525 
      1  -0.246152D+00  0.815221D+01 -0.141486D+01 -0.555110D+01 -0.232915D+01
      2   0.980220D+01 -0.250857D+02  0.152100D+01  0.131971D+01  0.487671D+01
      3   0.753074D+01 -0.138067D+02 -0.418404D+01 -0.137516D+02  0.126106D+01
               526           527           528           529           530 
      1  -0.197153D+01 -0.414541D+01 -0.396454D+01  0.219046D+00  0.225382D+00
      2  -0.114452D+01 -0.371733D+01  0.718500D+01  0.819234D+00  0.472870D+01
      3  -0.898905D+01 -0.195918D+02  0.624952D+01  0.594349D+00  0.580137D+01
               531           532           533           534           535 
      1  -0.904058D+00  0.122400D+01  0.255926D+00  0.178251D+01 -0.116559D+01
      2  -0.253059D+01  0.261678D+01 -0.184237D+01  0.612839D+01 -0.257417D+01
      3  -0.427443D+01  0.114342D+02 -0.853414D+01  0.161631D+01 -0.917071D+01
               536           537           538           539           540 
      1   0.871345D+00 -0.244209D+01  0.497527D-01  0.193037D+01  0.993163D+00
      2   0.240529D+01 -0.396289D+01  0.578616D+01 -0.389345D+01  0.292778D+01
      3   0.314799D+02 -0.210928D+01  0.396811D+01 -0.234828D+01  0.413181D+01
               541           542           543           544           545 
      1   0.965662D+00  0.438672D-01 -0.357429D+01  0.318194D+00  0.264330D+01
      2  -0.206141D+01  0.306847D+00  0.371099D+01 -0.899244D+00 -0.506557D+00
      3   0.514388D+01 -0.587374D+01 -0.169098D+01  0.125001D+01 -0.107996D+02
               546           547           548           549           550 
      1  -0.351691D+01 -0.147915D+01 -0.227844D+01 -0.168301D+01  0.638879D+01
      2   0.289410D+01  0.737715D+00  0.302809D+01  0.190957D+01 -0.144393D+01
      3   0.362812D+00 -0.120036D+01  0.239377D+01 -0.215903D+01 -0.244134D+02
               551           552           553           554           555 
      1  -0.465612D+01  0.717911D+01 -0.433765D+01  0.718240D+01 -0.511927D+01
      2   0.505392D+00 -0.243268D+01  0.701574D+00 -0.274765D+01  0.826953D+00
      3   0.188383D+02 -0.815812D+01  0.164371D+02 -0.200186D+02  0.793364D+01
               556           557           558           559           560 
      1   0.619208D+01 -0.496660D+01  0.685141D+01 -0.407129D+01  0.440380D+00
      2  -0.467537D+01  0.320844D+01 -0.279480D+01  0.661613D+01 -0.209987D+01
      3  -0.126369D+02  0.140127D+02 -0.109984D+02 -0.845740D+01  0.561667D+01
               561           562           563           564           565 
      1   0.770767D+01 -0.130045D+00 -0.328926D+01 -0.400012D+00  0.560686D+01
      2  -0.733502D+01  0.255929D+00  0.326592D+01  0.114168D+01 -0.908855D+01
      3   0.730430D+01  0.311801D+01 -0.146565D+01 -0.300695D+01  0.802543D+01
               566           567 
      1  -0.195020D+01 -0.233993D+02
      2   0.690878D+01  0.211538D+02
      3  -0.825740D+01 -0.147072D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.974485D+02 -0.136760D+02  0.264538D+02 -0.110315D+02  0.297793D+02
      2   0.577709D+02  0.164849D+02 -0.786885D+01  0.685240D+01 -0.186475D+02
      3   0.396776D+02 -0.280890D+01 -0.185850D+02  0.417907D+01 -0.111319D+02
      4  -0.928402D+01  0.119038D+02  0.622348D+01  0.224524D+02 -0.875931D+01
      5   0.369371D+02  0.734675D+01  0.124537D+02 -0.267147D+00 -0.273283D+01
      6   0.635845D-01 -0.491324D+01 -0.254772D+01 -0.498394D+01  0.235277D+01
                 6             7             8             9            10 
      1   0.969238D+01 -0.727594D+00  0.508061D+01  0.248822D+02 -0.675012D+01
      2   0.482052D+01  0.824529D+01  0.756817D+01 -0.847728D+01  0.664635D+01
      3  -0.145129D+02 -0.751769D+01 -0.126488D+02 -0.164049D+02  0.103764D+00
      4   0.280242D+01 -0.470601D+01 -0.346602D+01  0.318416D+02  0.869688D+01
      5   0.322778D+02  0.246520D+02  0.331064D+02 -0.417438D+01 -0.179300D+01
      6  -0.227723D-01  0.290756D+01  0.218146D+01 -0.113261D+02  0.231620D+01
                11            12            13            14            15 
      1   0.691387D+01 -0.608518D+01  0.162201D+02 -0.395074D+02  0.928738D+01
      2  -0.378461D+00  0.296852D+01 -0.356031D+01  0.221618D+02 -0.734577D+01
      3  -0.653541D+01  0.311666D+01 -0.126598D+02  0.173456D+02 -0.194161D+01
      4  -0.285869D+02  0.742603D+01 -0.468413D+02  0.365867D+01 -0.213262D+02
      5   0.119664D+02 -0.185890D+02  0.132880D+02 -0.189027D+02 -0.395436D+02
      6   0.236309D+01 -0.206639D+01 -0.105666D+01 -0.876861D+00 -0.683742D+01
                16            17            18            19            20 
      1   0.350317D+01  0.108071D+02 -0.297475D+02  0.712877D+02  0.532330D+02
      2  -0.703385D+01 -0.931334D+01  0.208808D+02 -0.479245D+02 -0.422403D+02
      3   0.353069D+01 -0.149377D+01  0.886671D+01 -0.233631D+02 -0.109928D+02
      4   0.781892D+01 -0.925236D+01 -0.299913D+02  0.407292D+02  0.770482D+02
      5  -0.455396D+02 -0.336903D+02  0.495224D+01 -0.379439D+01  0.290167D+01
      6  -0.599785D+01 -0.604163D+01  0.707698D+00 -0.122872D+01 -0.583477D+01
                21            22            23            24            25 
      1   0.337885D+01  0.142532D+02  0.317019D+02 -0.148330D+01 -0.429174D+01
      2  -0.260618D+01 -0.490605D+01 -0.119635D+02  0.151039D+01  0.273480D+01
      3  -0.772663D+00 -0.934713D+01 -0.197384D+02 -0.270878D-01  0.155695D+01
      4   0.709986D+01  0.291901D+02  0.959612D+02  0.147373D+02  0.607264D+00
      5   0.144913D+02 -0.329313D+01  0.124024D+02  0.156587D+02  0.305103D+02
      6  -0.549943D+00  0.117703D+01 -0.410954D+01  0.737038D+01 -0.501166D+00
                26            27            28            29            30 
      1   0.106950D+01  0.155023D+02 -0.724280D+01  0.229545D+02 -0.468132D+00
      2  -0.101112D+01 -0.171479D+02  0.514978D+00 -0.196580D+02 -0.175748D+01
      3  -0.583820D-01  0.164554D+01  0.672782D+01 -0.329647D+01  0.222561D+01
      4   0.127781D+02  0.112942D+02  0.459277D+01  0.454270D+02  0.745106D+00
      5   0.164760D+02  0.595578D+01 -0.680638D+01 -0.257847D+01 -0.128080D+02
      6   0.760737D+01  0.106748D+01 -0.108071D+02 -0.830101D+01  0.135910D+00
                31            32            33            34            35 
      1   0.501251D+02  0.467806D+02  0.939653D+00  0.786135D+01 -0.200404D+01
      2  -0.479096D+02 -0.469363D+02  0.952792D+00 -0.100894D+02 -0.301812D+01
      3  -0.221551D+01  0.155700D+00 -0.189245D+01  0.222809D+01  0.502215D+01
      4   0.282046D+02  0.186850D+02 -0.376469D+00 -0.845182D+01  0.223503D+01
      5  -0.912356D+01 -0.367747D+01  0.189914D+01  0.127201D+02  0.168790D+02
      6  -0.960313D+01 -0.733572D+01 -0.659538D+01  0.207848D+01  0.274328D+01
                36            37            38            39            40 
      1   0.420364D+01 -0.402920D+02  0.101344D+02 -0.126511D+02  0.521364D+02
      2  -0.115004D+02  0.437912D+02  0.245373D+01  0.122441D+02 -0.254216D+02
      3   0.729673D+01 -0.349917D+01 -0.125882D+02  0.406984D+00 -0.267148D+02
      4   0.145924D+02  0.143680D+02  0.155205D+02  0.138930D+02  0.268674D+02
      5   0.457230D+01 -0.631376D+01  0.222360D+02 -0.266335D+02  0.268220D+02
      6  -0.439803D+01  0.725945D+01  0.723673D+01 -0.716220D+01  0.543202D+01
                41            42            43            44            45 
      1   0.800057D+01  0.264076D+02 -0.104730D+02  0.295665D+02 -0.446769D+02
      2   0.671456D+00 -0.214987D+02  0.111409D+02 -0.245553D+02  0.319152D+02
      3  -0.867202D+01 -0.490892D+01 -0.667856D+00 -0.501122D+01  0.127617D+02
      4   0.336361D+00 -0.101662D+02  0.352353D+02  0.430527D+01 -0.200556D+02
      5  -0.131713D+02  0.161459D+02 -0.534201D+02 -0.157313D+02  0.208555D+02
      6  -0.472229D+01  0.368064D+01 -0.197182D+02 -0.633123D+01  0.150550D+02
                46            47            48            49            50 
      1   0.120309D+02 -0.191785D+02  0.234387D+02 -0.253947D+02 -0.362031D+02
      2  -0.153878D+02 -0.761621D+01 -0.343535D+01  0.129874D+01  0.159449D+02
      3   0.335690D+01  0.267947D+02 -0.200033D+02  0.240960D+02  0.202582D+02
      4  -0.323104D+02 -0.471046D+02  0.396006D+01 -0.561226D+02 -0.153947D+02
      5   0.135941D+02  0.331665D+01  0.202459D+02  0.962273D+01  0.253781D+02
      6   0.140235D+02  0.864053D+01  0.159208D+02  0.140459D+02  0.101639D+02
                51            52            53            54            55 
      1  -0.424289D+01  0.447954D+01 -0.219689D+02  0.425709D+02 -0.212861D+02
      2   0.304538D+01  0.589088D+01  0.138139D+02 -0.277505D+02 -0.639770D+01
      3   0.119751D+01 -0.103704D+02  0.815499D+01 -0.148204D+02  0.276838D+02
      4   0.189491D+02 -0.202208D+02 -0.527021D+01  0.978096D+01 -0.481489D+02
      5  -0.839365D+01  0.393507D+02  0.466932D+01 -0.260642D+02  0.105352D+02
      6  -0.851286D+01  0.218366D+02 -0.329752D+01 -0.573043D+01 -0.627107D+01
                56            57            58            59            60 
      1  -0.579276D+02  0.106904D+02 -0.779120D+02  0.108279D+02 -0.282957D+02
      2   0.356301D+02 -0.176701D+02  0.472812D+02 -0.149035D+02  0.150700D+02
      3   0.222974D+02  0.697968D+01  0.306307D+02  0.407560D+01  0.132257D+02
      4  -0.783928D+01 -0.140786D+02  0.555143D+01  0.134802D+02  0.278473D+02
      5  -0.228993D+02  0.382574D+02 -0.265479D+02  0.317667D+02  0.241741D+02
      6  -0.152072D+01  0.338391D+01  0.942278D+00  0.347217D+01  0.115530D+02
                61            62            63            64            65 
      1   0.280641D+02 -0.211984D+02  0.488348D+02  0.147822D+02 -0.207726D+01
      2  -0.258655D+02  0.139400D+02 -0.207227D+02 -0.147547D+02  0.374650D+01
      3  -0.219853D+01  0.725835D+01 -0.281121D+02 -0.275260D-01 -0.166924D+01
      4  -0.529861D+01  0.273322D+02  0.324180D+02  0.565984D+01 -0.465789D+02
      5   0.504670D+02  0.236984D+02 -0.261355D+00  0.708501D+01 -0.692570D+01
      6   0.791645D+01  0.908790D+01  0.397241D+01  0.830147D+01  0.588937D+01
                66            67            68            69            70 
      1   0.440400D+01  0.337027D+01 -0.154207D+02 -0.166920D+01  0.302256D+01
      2  -0.177175D+01 -0.274202D+01  0.178207D+02  0.889200D+00 -0.233261D+01
      3  -0.263225D+01 -0.628248D+00 -0.240000D+01  0.779999D+00 -0.689954D+00
      4  -0.717473D+01  0.123580D+02  0.241228D+02  0.225031D+01  0.134199D+01
      5   0.152385D+02  0.327795D+01  0.339118D+01  0.426897D+01  0.219379D+01
      6  -0.869183D+00  0.313935D+01  0.810987D+00  0.561994D+01  0.240454D+00
                71            72            73            74            75 
      1  -0.402285D+00 -0.362835D+01 -0.577043D+02  0.665058D+00  0.234184D-02
      2   0.466111D+00  0.758790D+00  0.299941D+02 -0.326120D+01  0.522593D-03
      3  -0.638255D-01  0.286956D+01  0.277102D+02  0.259615D+01 -0.286443D-02
      4  -0.101261D+01  0.390420D+01 -0.129099D+01 -0.255037D+02  0.834257D-02
      5   0.178206D+01  0.133340D+01  0.705423D-02  0.758250D-02 -0.226797D+02
      6   0.727598D+01  0.110009D+01  0.713489D-02  0.448423D-02 -0.368950D+01
                76            77            78            79            80 
      1  -0.171754D+01 -0.107843D+02 -0.446236D-02  0.132012D-01  0.625533D-02
      2   0.627779D+01  0.842830D+01  0.226882D-02 -0.188866D-01 -0.542980D-02
      3  -0.456026D+01  0.235596D+01  0.219354D-02  0.568540D-02 -0.825528D-03
      4  -0.171516D+02  0.163909D+02 -0.158014D-02  0.167505D-01  0.302706D-01
      5   0.362481D-02  0.998264D-03  0.249723D+01  0.650165D+01  0.180517D+01
      6  -0.330730D-02 -0.387461D-02  0.193233D+01  0.273834D+01  0.633572D+01
                81            82            83            84            85 
      1  -0.220918D+02 -0.387468D+02 -0.652662D+02 -0.126719D+02  0.496588D+01
      2  -0.814510D+00  0.329404D+02  0.569770D+02  0.764941D+01 -0.183176D+01
      3   0.229063D+02  0.580642D+01  0.828920D+01  0.502246D+01 -0.313412D+01
      4  -0.382299D+00 -0.436582D+02 -0.342506D+01 -0.276336D+01  0.197628D+02
      5   0.147866D-01 -0.570339D+01 -0.150080D+01  0.211988D+02  0.169907D+01
      6   0.325209D-02  0.108678D+02  0.237576D+01  0.109514D+02 -0.653014D+01
                86            87            88            89            90 
      1  -0.951389D+01 -0.821097D+00 -0.807597D+00  0.468032D+00 -0.850637D+01
      2   0.119888D+02  0.325613D+00 -0.119049D+01 -0.226073D+01  0.426570D+01
      3  -0.247487D+01  0.495484D+00  0.199809D+01  0.179269D+01  0.424067D+01
      4   0.181881D+01  0.700238D+00  0.281144D+01  0.295766D+01 -0.251000D+01
      5  -0.306733D+00 -0.198216D+01  0.119908D+01  0.189546D+01 -0.232237D+00
      6   0.242094D+01  0.388195D+01  0.402384D+01  0.888730D+01  0.192081D+01
                91            92            93            94            95 
      1  -0.168131D+01  0.204263D+02  0.495272D+01 -0.865863D+02 -0.979401D+02
      2  -0.895328D+01 -0.183545D+02 -0.236707D+01  0.757333D+02  0.718183D+02
      3   0.106346D+02 -0.207185D+01 -0.258565D+01  0.108530D+02  0.261217D+02
      4   0.288383D+02 -0.458956D+02 -0.394900D+01 -0.951997D+02 -0.154080D+03
      5   0.319538D+01 -0.369619D+01 -0.247812D+02 -0.101232D+02 -0.148131D+02
      6  -0.900121D+01  0.173557D+01 -0.748795D+01  0.859617D+01  0.502096D+01
                96            97            98            99           100 
      1  -0.104332D+02 -0.177402D+02 -0.141938D+02 -0.264438D+02 -0.226499D+02
      2   0.828969D+01  0.128391D+02  0.731786D+01  0.130127D+02  0.215590D+02
      3   0.214351D+01  0.490110D+01  0.687598D+01  0.134311D+02  0.109090D+01
      4  -0.183873D+02 -0.131893D+02 -0.201931D+02 -0.270317D+02 -0.291120D+02
      5  -0.210763D+02 -0.100855D+02 -0.260869D+02 -0.100435D+02 -0.101269D+01
      6  -0.201971D+00  0.483801D+01  0.126238D+02  0.250867D+01  0.317402D+00
               101           102           103           104           105 
      1  -0.209092D+02  0.187234D+00  0.297623D+02  0.469649D+02  0.912940D+01
      2   0.125156D+02 -0.261742D+01 -0.415769D+02 -0.381337D+02 -0.497532D+01
      3   0.839361D+01  0.243019D+01  0.118146D+02 -0.883119D+01 -0.415407D+01
      4  -0.236071D+02 -0.312011D+01  0.524865D+02  0.141310D+02  0.191094D+00
      5  -0.107737D+01 -0.130729D+02  0.939373D+01  0.556996D+00 -0.270906D+01
      6  -0.295534D+01  0.827271D+01 -0.990071D+01  0.688797D+00 -0.850628D+01
               106           107           108           109           110 
      1   0.986230D+01  0.238868D+01 -0.431806D+01  0.222467D+02  0.118105D+02
      2  -0.115269D+02  0.203538D+01  0.942249D-01 -0.120122D+02 -0.186330D+02
      3   0.166460D+01 -0.442406D+01  0.422384D+01 -0.102345D+02  0.682257D+01
      4   0.609366D+01 -0.926946D+01  0.112455D+02 -0.904268D+01  0.374238D+02
      5  -0.100274D+02  0.726920D+01 -0.151051D+01  0.125858D+02 -0.275700D+01
      6   0.728183D+01 -0.120734D+02  0.406999D+00 -0.109580D+02  0.253400D+01
               111           112           113           114           115 
      1   0.104331D+02 -0.483847D+01 -0.179470D+02  0.289054D+01  0.115245D+02
      2  -0.555467D+01  0.579680D+00  0.289338D+02 -0.733894D+01 -0.855070D+01
      3  -0.487843D+01  0.425879D+01 -0.109868D+02  0.444840D+01 -0.297383D+01
      4  -0.794506D+01  0.691340D+01 -0.349412D+02  0.949714D+01 -0.693841D+01
      5   0.112132D+02 -0.420856D+01  0.866890D+01 -0.521995D+01  0.141170D+02
      6  -0.795943D+01  0.427596D+01 -0.110860D+02  0.105779D+02 -0.113318D+02
               116           117           118           119           120 
      1   0.167560D+02  0.269312D-01  0.933941D+01 -0.302436D+02  0.640262D+01
      2  -0.209727D+02  0.519766D+00 -0.322945D+02  0.486728D+01 -0.198947D+02
      3   0.421673D+01 -0.546697D+00  0.229551D+02  0.253763D+02  0.134920D+02
      4   0.305535D+02 -0.161456D+02 -0.413208D+02 -0.430591D+02 -0.874786D+01
      5  -0.119266D+02  0.278210D+02 -0.499782D-01 -0.163528D+02  0.199714D+02
      6   0.172506D+02 -0.267998D+02 -0.230774D+00 -0.146927D+02  0.167618D+02
               121           122           123           124           125 
      1  -0.269641D+02 -0.186368D+02 -0.210062D+02  0.621486D+01 -0.203966D+02
      2   0.783677D+01  0.531871D+01  0.209516D+02 -0.173584D+02  0.258885D+02
      3   0.191274D+02  0.133181D+02  0.545971D-01  0.111436D+02 -0.549184D+01
      4  -0.367442D+02 -0.131551D+02  0.210679D+01 -0.853755D+01  0.270254D+01
      5  -0.157412D+02  0.780424D+01 -0.473493D+01  0.197541D+02 -0.335579D+01
      6  -0.113008D+02  0.133300D+02 -0.104953D+01  0.177214D+02 -0.446672D+01
               126           127           128           129           130 
      1   0.321727D+02  0.135204D+02  0.597444D+02 -0.736312D+01  0.856090D+02
      2  -0.104460D+02  0.484114D+01 -0.364300D+02  0.126784D+02 -0.538554D+02
      3  -0.217266D+02 -0.183616D+02 -0.233144D+02 -0.531524D+01 -0.317536D+02
      4   0.117826D+02  0.581142D+02 -0.656049D+00  0.215692D+02 -0.222233D+02
      5  -0.178027D+02 -0.683410D+01  0.266317D+02 -0.316911D+02  0.314860D+02
      6  -0.222793D+02  0.918516D+01  0.694935D+00 -0.284596D+01 -0.551901D+01
               131           132           133           134           135 
      1  -0.158639D+02  0.398598D+02 -0.117726D+02  0.300500D+02 -0.381599D+02
      2   0.960250D+01 -0.242155D+02  0.143402D+02 -0.183143D+02  0.871557D+01
      3   0.626138D+01 -0.156444D+02 -0.256759D+01 -0.117357D+02  0.294443D+02
      4  -0.222331D+02 -0.333563D+02  0.149090D+02 -0.320433D+02 -0.411183D+02
      5  -0.378072D+02 -0.275049D+02 -0.428970D+02 -0.327410D+02  0.115088D+02
      6  -0.127864D+02 -0.181198D+02 -0.843774D+01 -0.176463D+02 -0.280813D+01
               136           137           138           139           140 
      1   0.353914D+02  0.353301D+02 -0.592979D+01  0.436784D+02  0.316136D+00
      2  -0.919474D+01 -0.252574D+02  0.124826D+02 -0.296079D+02  0.131372D+02
      3  -0.261966D+02 -0.100726D+02 -0.655276D+01 -0.140704D+02 -0.134533D+02
      4   0.393586D+02 -0.375734D+01  0.177389D+02 -0.135830D+02 -0.752924D+01
      5   0.137046D+01  0.305811D+02 -0.279371D+02  0.318108D+02 -0.393380D+02
      6   0.158037D+02 -0.510991D+01  0.566446D+01 -0.108522D+02 -0.885917D+01
               141           142           143           144           145 
      1   0.306058D+02 -0.661181D+01  0.231940D+02 -0.260679D+02  0.148048D+02
      2  -0.109277D+02  0.142582D+02 -0.595783D+01  0.460385D+01 -0.147690D+02
      3  -0.196781D+02 -0.764639D+01 -0.172362D+02  0.214641D+02 -0.358758D-01
      4  -0.353139D+02  0.102122D+02 -0.257523D+02 -0.199472D+02  0.569826D+01
      5  -0.948210D+01 -0.286328D+02 -0.132910D+02  0.276322D+00 -0.709522D+01
      6  -0.280821D+02  0.157224D+01 -0.202938D+02 -0.102044D+02 -0.830632D+01
               146           147           148           149           150 
      1  -0.206219D+01 -0.443664D+01  0.335938D+01 -0.154121D+02  0.168433D+01
      2   0.375411D+01  0.176178D+01 -0.273651D+01  0.178041D+02 -0.897961D+00
      3  -0.169192D+01  0.267486D+01 -0.622874D+00 -0.239199D+01 -0.786371D+00
      4  -0.465713D+02  0.718408D+01  0.123592D+02  0.240995D+02 -0.226410D+01
      5   0.692648D+01  0.152443D+02 -0.328353D+01 -0.340305D+01  0.426968D+01
      6  -0.585785D+01 -0.867490D+00 -0.313983D+01 -0.842869D+00  0.561974D+01
               151           152           153           154           155 
      1  -0.302016D+01  0.415053D+00 -0.363612D+01 -0.730993D+01  0.228918D+02
      2   0.232329D+01 -0.463192D+00  0.757394D+00  0.554359D+00 -0.196232D+02
      3   0.696869D+00  0.481393D-01  0.287873D+01  0.675557D+01 -0.326861D+01
      4  -0.134452D+01  0.961827D+00  0.390308D+01  0.453429D+01  0.454330D+02
      5   0.218737D+01  0.177767D+01 -0.133699D+01  0.680014D+01  0.257681D+01
      6   0.247593D+00  0.726473D+01 -0.111702D+01  0.107923D+02  0.826807D+01
               156           157           158           159           160 
      1   0.485792D+00  0.500400D+02  0.468137D+02 -0.915391D+00 -0.789857D+01
      2   0.176545D+01 -0.478560D+02 -0.469686D+02 -0.969701D+00  0.101180D+02
      3  -0.225125D+01 -0.218402D+01  0.154882D+00  0.188509D+01 -0.221948D+01
      4  -0.757012D+00  0.282407D+02  0.187842D+02  0.409522D+00  0.847575D+01
      5  -0.128053D+02  0.914018D+01  0.368536D+01  0.190965D+01  0.127074D+02
      6   0.137839D+00  0.963399D+01  0.735558D+01 -0.659001D+01  0.208564D+01
               161           162           163           164           165 
      1   0.200389D+01  0.419216D+01 -0.403470D+02  0.101742D+02  0.127123D+02
      2   0.303787D+01 -0.114922D+02  0.438140D+02  0.243989D+01 -0.122700D+02
      3  -0.504176D+01  0.730004D+01 -0.346698D+01 -0.126141D+02 -0.442313D+00
      4  -0.225866D+01  0.146113D+02  0.143792D+02  0.155157D+02 -0.138598D+02
      5   0.169077D+02 -0.459710D+01  0.641035D+01 -0.222086D+02 -0.265680D+02
      6   0.275127D+01  0.439673D+01 -0.723861D+01 -0.722759D+01 -0.713451D+01
               166           167           168           169           170 
      1   0.521314D+02  0.797752D+01 -0.263981D+02  0.105438D+02 -0.295351D+02
      2  -0.253953D+02  0.698071D+00  0.214775D+02 -0.111616D+02  0.245319D+02
      3  -0.267361D+02 -0.867560D+01  0.492063D+01  0.617815D+00  0.500324D+01
      4   0.268552D+02  0.334144D+00  0.101328D+02 -0.352400D+02 -0.434941D+01
      5  -0.268071D+02  0.131398D+02  0.160428D+02 -0.533008D+02 -0.158037D+02
      6  -0.544041D+01  0.472442D+01  0.364774D+01 -0.197019D+02 -0.637722D+01
               171           172           173           174           175 
      1  -0.445597D+02 -0.211043D+02 -0.579997D+02 -0.108440D+02 -0.779790D+02
      2   0.318112D+02 -0.653458D+01  0.356538D+02  0.177111D+02  0.472827D+02
      3   0.127485D+02  0.276389D+02  0.223459D+02 -0.686716D+01  0.306963D+02
      4  -0.201182D+02 -0.481798D+02 -0.785832D+01  0.139974D+02  0.554027D+01
      5  -0.209857D+02 -0.106977D+02  0.228258D+02  0.382040D+02  0.264199D+02
      6  -0.151118D+02  0.625429D+01  0.150090D+01  0.338571D+01 -0.964975D+00
               176           177           178           179           180 
      1   0.108347D+02  0.281598D+02 -0.282232D+02  0.210997D+02  0.487213D+02
      2  -0.148790D+02 -0.149715D+02  0.258916D+02 -0.138678D+02 -0.205949D+02
      3   0.404432D+01 -0.131883D+02  0.233158D+01 -0.723195D+01 -0.281264D+02
      4   0.134669D+02 -0.278160D+02  0.518265D+01 -0.273315D+02  0.325040D+02
      5  -0.317273D+02  0.243241D+02  0.503713D+02  0.238068D+02  0.448334D+00
      6  -0.346592D+01  0.115573D+02  0.791889D+01  0.909149D+01 -0.395852D+01
               181           182           183           184           185 
      1  -0.677855D+01  0.701335D+01  0.616353D+01  0.163329D+02 -0.395397D+02
      2   0.665133D+01 -0.445486D+00 -0.301858D+01 -0.362722D+01  0.221844D+02
      3   0.127216D+00 -0.656786D+01 -0.314496D+01 -0.127057D+02  0.173554D+02
      4   0.878157D+01 -0.286033D+02 -0.739323D+01 -0.468654D+02  0.360805D+01
      5   0.189877D+01 -0.119272D+02 -0.185375D+02 -0.132161D+02  0.188129D+02
      6  -0.230279D+01 -0.236470D+01 -0.206096D+01  0.104324D+01  0.880071D+00
               186           187           188           189           190 
      1  -0.920157D+01 -0.337628D+01 -0.107714D+02 -0.296928D+02  0.711963D+02
      2   0.731853D+01  0.697622D+01  0.932602D+01  0.208536D+02 -0.478836D+02
      3   0.188304D+01 -0.359995D+01  0.144536D+01  0.883918D+01 -0.233127D+02
      4   0.212470D+02 -0.778362D+01  0.917899D+01 -0.300355D+02  0.406846D+02
      5  -0.395822D+02 -0.454942D+02 -0.337384D+02 -0.502644D+01  0.377442D+01
      6  -0.684029D+01 -0.600607D+01 -0.604999D+01 -0.729370D+00  0.123538D+01
               191           192           193           194           195 
      1   0.531931D+02 -0.337996D+01  0.142478D+02  0.316908D+02  0.147830D+01
      2  -0.422470D+02  0.261344D+01 -0.491594D+01 -0.119792D+02 -0.150116D+01
      3  -0.109461D+02  0.766517D+00 -0.933181D+01 -0.197116D+02  0.228564D-01
      4   0.770603D+02 -0.708514D+01  0.291567D+02  0.960097D+02 -0.147518D+02
      5  -0.289693D+01  0.144935D+02  0.331600D+01 -0.123894D+02  0.156761D+02
      6   0.582654D+01 -0.553748D+00 -0.120587D+01  0.408221D+01  0.738181D+01
               196           197           198           199           200 
      1   0.431584D+01 -0.999012D+00  0.154877D+02 -0.973203D+02 -0.137644D+02
      2  -0.275002D+01  0.946605D+00 -0.171437D+02  0.577551D+02  0.165660D+02
      3  -0.156582D+01  0.524062D-01  0.165601D+01  0.395652D+02 -0.280156D+01
      4  -0.541873D+00 -0.127194D+02  0.112866D+02 -0.938819D+01  0.118822D+02
      5   0.305053D+02  0.164712D+02 -0.594760D+01 -0.371249D+02 -0.743032D+01
      6  -0.501567D+00  0.761486D+01 -0.107016D+01 -0.100507D+00  0.491609D+01
               201           202           203           204           205 
      1  -0.266186D+02 -0.111201D+02  0.297521D+02 -0.978520D+01  0.500991D+00
      2   0.795897D+01  0.692966D+01 -0.186446D+02 -0.477685D+01 -0.812815D+01
      3   0.186596D+02  0.419039D+01 -0.111076D+02  0.145620D+02  0.762716D+01
      4  -0.629145D+01  0.224394D+02 -0.869132D+01 -0.274930D+01  0.464845D+01
      5   0.123424D+02  0.176124D+00  0.279855D+01  0.322526D+02  0.245507D+02
      6  -0.256073D+01  0.499105D+01 -0.233752D+01  0.250374D-02  0.289535D+01
               206           207           208           209           210 
      1  -0.516576D+01  0.247970D+02  0.121036D+02 -0.191278D+02 -0.234698D+02
      2  -0.752302D+01 -0.844894D+01 -0.153972D+02 -0.765669D+01  0.347834D+01
      3   0.126888D+02 -0.163481D+02  0.329356D+01  0.267845D+02  0.199915D+02
      4   0.352013D+01  0.318363D+02 -0.322805D+02 -0.471230D+02 -0.399764D+01
      5   0.330861D+02  0.423686D+01 -0.136424D+02 -0.332785D+01  0.201444D+02
      6   0.220261D+01  0.113357D+02 -0.140684D+02 -0.866544D+01  0.158903D+02
               211           212           213           214           215 
      1  -0.253044D+02 -0.361470D+02  0.425293D+01 -0.459461D+01  0.219385D+02
      2   0.123034D+01  0.158858D+02 -0.308016D+01 -0.582063D+01 -0.138419D+02
      3   0.240741D+02  0.202612D+02 -0.117278D+01  0.104152D+02 -0.809659D+01
      4  -0.561254D+02 -0.154889D+02 -0.189853D+02  0.201684D+02  0.522321D+01
      5  -0.960674D+01 -0.254079D+02 -0.835225D+01  0.392321D+02  0.471878D+01
      6  -0.140613D+02 -0.102182D+02 -0.851102D+01  0.218116D+02 -0.327787D+01
               216           217           218           219           220 
      1   0.424131D+02  0.354256D+02  0.354493D+02  0.603554D+01  0.437900D+02
      2  -0.276971D+02 -0.918032D+01 -0.252754D+02 -0.124787D+02 -0.295978D+02
      3  -0.147160D+02 -0.262453D+02 -0.101739D+02  0.644317D+01 -0.141922D+02
      4   0.981842D+01  0.394020D+02 -0.388343D+01 -0.176344D+02 -0.137299D+02
      5   0.261715D+02 -0.130289D+01 -0.305053D+02 -0.279197D+02 -0.316985D+02
      6   0.581195D+01 -0.157912D+02  0.520367D+01  0.559380D+01  0.109500D+02
               221           222           223           224           225 
      1   0.125355D+00 -0.305161D+02  0.676359D+01 -0.231239D+02 -0.260107D+02
      2   0.132423D+02  0.107985D+02 -0.142815D+02  0.586314D+01  0.453558D+01
      3  -0.133677D+02  0.197175D+02  0.751794D+01  0.172607D+02  0.214751D+02
      4  -0.744372D+01  0.353490D+02 -0.100873D+02  0.257805D+02 -0.200908D+02
      5   0.394171D+02 -0.969275D+01 -0.286082D+02 -0.134784D+02 -0.390893D+00
      6   0.879536D+01 -0.280820D+02  0.151439D+01 -0.203032D+02  0.102748D+02
               226           227           228           229           230 
      1   0.133287D+02  0.598823D+02  0.754201D+01  0.857917D+02 -0.158727D+02
      2   0.499167D+01 -0.364823D+02 -0.127329D+02 -0.539214D+02  0.957982D+01
      3  -0.183204D+02 -0.234001D+02  0.519093D+01 -0.318703D+02  0.629284D+01
      4   0.582188D+02 -0.622515D+00 -0.214622D+02 -0.221769D+02 -0.222308D+02
      5   0.700754D+01 -0.265457D+02 -0.316318D+02 -0.313515D+02  0.377177D+02
      6  -0.914789D+01 -0.685080D+00 -0.286299D+01  0.551341D+01  0.127763D+02
               231           232           233           234           235 
      1  -0.397306D+02  0.119463D+02 -0.299319D+02 -0.380172D+02  0.946298D+01
      2   0.241214D+02 -0.143791D+02  0.182414D+02  0.859114D+01 -0.323887D+02
      3   0.156092D+02  0.243276D+01  0.116906D+02  0.294261D+02  0.229257D+02
      4   0.332706D+02 -0.147735D+02  0.319960D+02 -0.412441D+02 -0.412153D+02
      5  -0.276709D+02 -0.427948D+02 -0.328887D+02 -0.116598D+02 -0.300587D-01
      6  -0.181158D+02 -0.846272D+01 -0.176623D+02  0.278963D+01  0.181643D+00
               236           237           238           239           240 
      1  -0.302004D+02 -0.646567D+01 -0.269455D+02 -0.186390D+02  0.209836D+02
      2   0.483921D+01  0.199136D+02  0.780899D+01  0.526293D+01 -0.209075D+02
      3   0.253612D+02 -0.134479D+02  0.191365D+02  0.133761D+02 -0.760977D-01
      4  -0.430665D+02  0.867139D+01 -0.367810D+02 -0.132245D+02 -0.209733D+01
      5   0.163321D+02  0.199326D+02  0.157388D+02 -0.777611D+01 -0.466322D+01
      6   0.146762D+02  0.167066D+02  0.112884D+02 -0.133047D+02 -0.980557D+00
               241           242           243           244           245 
      1  -0.628541D+01  0.203442D+02  0.321034D+02 -0.168065D+01  0.204865D+02
      2   0.173700D+02 -0.258520D+02 -0.102938D+02 -0.896040D+01 -0.183870D+02
      3  -0.110846D+02  0.550777D+01 -0.218096D+02  0.106410D+02 -0.209948D+01
      4   0.844157D+01 -0.270794D+01  0.118049D+02  0.289174D+02 -0.457960D+02
      5   0.197203D+02 -0.329940D+01  0.179096D+02 -0.319900D+01  0.370286D+01
      6   0.176652D+02 -0.438440D+01  0.223670D+02  0.901490D+01 -0.172860D+01
               246           247           248           249           250 
      1  -0.493079D+01 -0.864652D+02 -0.979045D+02  0.104233D+02  0.177094D+02
      2   0.235849D+01  0.756630D+02  0.718452D+02 -0.829086D+01 -0.128291D+02
      3   0.257230D+01  0.108023D+02  0.260593D+02 -0.213239D+01 -0.488030D+01
      4   0.396578D+01 -0.951139D+02 -0.154170D+03  0.183981D+02  0.131728D+02
      5  -0.247660D+02  0.101126D+02  0.148135D+02 -0.210833D+02 -0.100693D+02
      6  -0.749331D+01 -0.856180D+01 -0.497775D+01 -0.212035D+00  0.483286D+01
               251           252           253           254           255 
      1   0.141702D+02 -0.264244D+02 -0.226108D+02 -0.209241D+02 -0.183278D+00
      2  -0.731594D+01  0.130086D+02  0.215450D+02  0.125384D+02  0.261815D+01
      3  -0.685430D+01  0.134158D+02  0.106577D+01  0.838579D+01 -0.243487D+01
      4   0.201586D+02 -0.270327D+02 -0.291291D+02 -0.236327D+02  0.310988D+01
      5  -0.260895D+02  0.100294D+02  0.102379D+01  0.107297D+01 -0.130783D+02
      6   0.126236D+02 -0.249444D+01 -0.323701D+00  0.296686D+01  0.827557D+01
               256           257           258           259           260 
      1   0.296948D+02  0.469617D+02 -0.913178D+01 -0.986501D+01 -0.241173D+01
      2  -0.415326D+02 -0.381450D+02  0.497150D+01  0.115424D+02 -0.202434D+01
      3   0.118378D+02 -0.881674D+01  0.416028D+01 -0.167742D+01  0.443607D+01
      4   0.524758D+02  0.141632D+02 -0.181965D+00 -0.611802D+01  0.926447D+01
      5  -0.938663D+01 -0.551560D+00 -0.271750D+01 -0.100343D+02  0.726917D+01
      6   0.990140D+01 -0.691975D+00 -0.850246D+01  0.728602D+01 -0.120712D+02
               261           262           263           264           265 
      1  -0.432435D+01  0.222593D+02  0.118135D+02 -0.104350D+02 -0.481563D+01
      2   0.104027D+00 -0.120170D+02 -0.186596D+02  0.555170D+01  0.561225D+00
      3   0.422032D+01 -0.102423D+02  0.684612D+01  0.488325D+01  0.425441D+01
      4   0.112460D+02 -0.907998D+01  0.374871D+02  0.795099D+01  0.693786D+01
      5   0.149234D+01 -0.125915D+02  0.276221D+01  0.112203D+02  0.420272D+01
      6  -0.395973D+00  0.109607D+02 -0.254792D+01 -0.796770D+01 -0.427621D+01
               266           267           268           269           270 
      1  -0.178968D+02 -0.288461D+01 -0.115152D+02 -0.167233D+02  0.391849D-01
      2   0.288899D+02  0.733657D+01  0.854044D+01  0.209520D+02  0.513013D+00
      3  -0.109932D+02 -0.445196D+01  0.297477D+01 -0.422871D+01 -0.552198D+00
      4  -0.348887D+02 -0.948522D+01  0.696247D+01 -0.305362D+02 -0.161524D+02
      5  -0.866294D+01 -0.521655D+01  0.141249D+02 -0.119327D+02 -0.278177D+02
      6   0.110822D+02  0.105757D+02 -0.113408D+02  0.172503D+02  0.267891D+02
               271           272           273           274           275 
      1  -0.387199D+02 -0.652917D+02  0.126518D+02  0.494845D+01 -0.955749D+01
      2   0.329284D+02  0.570061D+02 -0.764494D+01 -0.182713D+01  0.120331D+02
      3   0.579146D+01  0.828560D+01 -0.500682D+01 -0.312132D+01 -0.247557D+01
      4  -0.436955D+02 -0.349924D+01  0.275118D+01  0.197629D+02  0.179956D+01
      5   0.570294D+01  0.149901D+01  0.212005D+02 -0.169394D+01  0.309841D+00
      6  -0.108752D+02 -0.238472D+01  0.109609D+02  0.652811D+01 -0.241074D+01
               276           277           278           279           280 
      1   0.825560D+00  0.810932D+00 -0.484586D+00 -0.850712D+01  0.324869D+02
      2  -0.327615D+00  0.118945D+01  0.226833D+01  0.427065D+01 -0.236185D+02
      3  -0.497944D+00 -0.200038D+01 -0.178374D+01  0.423647D+01 -0.886839D+01
      4  -0.699091D+00 -0.283203D+01 -0.295231D+01 -0.251667D+01 -0.118166D+02
      5  -0.198032D+01  0.120401D+01  0.189169D+01  0.236538D+00  0.186862D+02
      6   0.388655D+01  0.402833D+01  0.889497D+01 -0.191594D+01 -0.978848D+01
               281           282           283           284           285 
      1   0.149491D+02  0.773318D+01  0.233915D+01 -0.417215D+01  0.526688D+01
      2  -0.193179D+02 -0.526463D+01 -0.509401D+01  0.847989D+01 -0.720605D+01
      3   0.436886D+01 -0.246855D+01  0.275486D+01 -0.430774D+01  0.193917D+01
      4   0.364591D+02 -0.155140D+02  0.949109D+01 -0.174645D+02  0.102459D+02
      5  -0.918295D+01  0.184532D+02 -0.142413D+01  0.105874D+02 -0.183329D+01
      6   0.747923D+01 -0.101875D+02  0.307452D+01 -0.914755D+01  0.757156D+01
               286           287           288           289           290 
      1   0.125420D+02  0.103884D+02  0.119045D+01 -0.213973D+02 -0.217487D+02
      2  -0.138209D+02 -0.988240D+01 -0.939821D+01  0.222236D+02  0.228569D+02
      3   0.127886D+01 -0.506046D+00  0.820776D+01 -0.826252D+00 -0.110819D+01
      4  -0.797714D+01  0.191336D+02 -0.159975D+02  0.745010D+01  0.832997D+01
      5   0.194624D+02 -0.105017D+02  0.308779D+02 -0.741439D+00 -0.106141D+01
      6  -0.108281D+02  0.133106D+02 -0.238530D+02 -0.538800D+01 -0.442649D+01
               291           292           293           294           295 
      1   0.537835D+01 -0.160965D+02 -0.481473D+02  0.798371D+01  0.392989D+01
      2  -0.333216D+01  0.212484D+02  0.628460D+02 -0.743054D+01 -0.261220D+01
      3  -0.204618D+01 -0.515195D+01 -0.146986D+02 -0.553173D+00 -0.131769D+01
      4  -0.207701D+01  0.248075D+00 -0.171515D+02  0.299474D+01 -0.101432D+01
      5  -0.400086D-01 -0.257708D+00  0.267698D+01 -0.246382D+01 -0.125362D+01
      6   0.709965D+01 -0.366464D+01 -0.113144D+02  0.134250D+02  0.677279D+01
               296           297           298           299           300 
      1   0.795942D+01 -0.149564D+02 -0.213976D+02 -0.217483D+02 -0.538405D+01
      2  -0.577232D+01  0.118244D+02  0.222219D+02  0.228528D+02  0.334187D+01
      3  -0.218709D+01  0.313200D+01 -0.824307D+00 -0.110451D+01  0.204218D+01
      4   0.945821D+00 -0.218532D+01  0.745964D+01  0.833518D+01  0.207980D+01
      5  -0.617679D+01  0.320980D+01  0.739683D+00  0.106333D+01 -0.519813D-01
      6   0.165999D+02 -0.954854D+01  0.539044D+01  0.443506D+01  0.709733D+01
               301           302           303           304           305 
      1  -0.160838D+02 -0.481135D+02 -0.798887D+01 -0.392981D+01 -0.795970D+01
      2   0.212311D+02  0.627988D+02  0.743499D+01  0.260872D+01  0.577193D+01
      3  -0.514729D+01 -0.146853D+02  0.553875D+00  0.132109D+01  0.218777D+01
      4   0.273012D+00 -0.170974D+02 -0.299113D+01  0.101754D+01 -0.939263D+00
      5   0.245947D+00 -0.267319D+01 -0.246475D+01 -0.125458D+01 -0.616657D+01
      6   0.366023D+01  0.113058D+02  0.134198D+02  0.677738D+01  0.165959D+02
               306           307           308           309           310 
      1  -0.149530D+02  0.325039D+02  0.149447D+02 -0.772310D+01  0.231863D+01
      2   0.118197D+02 -0.236211D+02 -0.193117D+02  0.525528D+01 -0.507450D+01
      3   0.313326D+01 -0.888272D+01  0.436705D+01  0.246782D+01  0.275587D+01
      4  -0.217416D+01 -0.118383D+02  0.364595D+02  0.155202D+02  0.949655D+01
      5  -0.321150D+01 -0.186827D+02  0.919045D+01  0.184486D+02  0.143161D+01
      6   0.955133D+01  0.978907D+01 -0.748619D+01 -0.101890D+02 -0.307784D+01
               311           312           313           314           315 
      1  -0.418797D+01 -0.525194D+01 -0.125387D+02 -0.103754D+02  0.118762D+01
      2   0.850410D+01  0.719995D+01  0.138149D+02  0.986721D+01 -0.938364D+01
      3  -0.431613D+01 -0.194801D+01 -0.127622D+01  0.508169D+00  0.819602D+01
      4  -0.174816D+02 -0.102439D+02  0.798857D+01 -0.191092D+02 -0.159983D+02
      5  -0.105875D+02 -0.183695D+01  0.194532D+02 -0.105057D+02 -0.308508D+02
      6   0.914819D+01  0.757520D+01 -0.108264D+02  0.133117D+02  0.238435D+02
               316           317           318           319           320 
      1   0.398667D+02  0.247988D+02  0.921292D+01  0.241968D+02  0.174939D+02
      2  -0.125847D+02 -0.393892D+00 -0.391783D+01  0.592347D+00  0.135437D+02
      3  -0.272820D+02 -0.244049D+02 -0.529509D+01 -0.247891D+02 -0.310376D+02
      4   0.481272D+02  0.515492D+02  0.133314D+02  0.538167D+02  0.713511D+02
      5   0.210563D+02  0.156334D+02  0.150972D+02  0.190217D+02  0.251121D+02
      6   0.136364D+02  0.135024D+02  0.729863D+01  0.159475D+02  0.232162D+02
               321           322           323           324           325 
      1   0.283790D+01  0.661409D+00 -0.210500D+01  0.349420D+00 -0.266174D+02
      2   0.123690D+01 -0.737595D+00 -0.855833D-01  0.170377D+01  0.117113D+02
      3  -0.407480D+01  0.761854D-01  0.219059D+01 -0.205319D+01  0.149061D+02
      4   0.212096D+02  0.218511D+01  0.985278D+01  0.131163D+02  0.171805D+01
      5   0.175649D+02  0.925640D+01  0.128180D+02  0.754499D+01  0.584050D+01
      6   0.138206D+02  0.422812D+01  0.962443D+01  0.651880D+01  0.108547D+02
               326           327           328           329           330 
      1   0.183559D+02  0.300254D+02  0.758154D+01 -0.106726D+02 -0.115811D+02
      2  -0.918565D+01 -0.735340D+01 -0.373452D+01  0.689156D+01  0.769338D+01
      3  -0.917023D+01 -0.226720D+02 -0.384701D+01  0.378101D+01  0.388769D+01
      4  -0.821620D-01 -0.149056D+01  0.328151D+01  0.944986D+01  0.915315D+01
      5  -0.502168D+01 -0.174747D+02 -0.832709D+00  0.972238D+01  0.689386D+01
      6  -0.875750D+01 -0.172346D+02 -0.256409D+01  0.108899D+02  0.116510D+02
               331           332           333           334           335 
      1   0.174131D+02 -0.162486D+02 -0.372742D+02  0.156293D+03  0.149557D+01
      2  -0.386525D+01  0.681456D+01  0.440832D+01 -0.920812D+02 -0.649418D+00
      3  -0.135479D+02  0.943407D+01  0.328659D+02 -0.642119D+02 -0.846157D+00
      4   0.709415D+00  0.774087D+01  0.565071D+01  0.657944D+01  0.130798D+02
      5  -0.617569D+01  0.107507D+02  0.294363D+02  0.646566D+02  0.891364D+00
      6  -0.877690D+01  0.143037D+02  0.241003D+02  0.201535D+01  0.321458D+01
               336           337           338           339           340 
      1   0.379353D+02  0.510585D+00  0.111672D+02 -0.187500D+00  0.212238D+02
      2  -0.269172D+02  0.296202D+00 -0.521272D+01  0.911282D+00 -0.170132D+02
      3  -0.110180D+02 -0.806787D+00 -0.595447D+01 -0.723781D+00 -0.421058D+01
      4   0.885755D+00  0.167304D+02  0.494126D-01  0.589939D+01  0.862487D+00
      5   0.343471D+02 -0.139542D+00  0.701220D+01 -0.162497D+01  0.277624D+02
      6   0.212364D+01  0.393712D+01  0.125081D+01  0.314270D+01  0.230262D+01
               341           342           343           344           345 
      1  -0.312038D+00  0.196559D+02  0.429746D+01 -0.612768D+01  0.174633D+02
      2   0.219171D+01 -0.158309D+02 -0.626116D+01  0.676858D+00 -0.193953D+01
      3  -0.187967D+01 -0.382495D+01  0.196370D+01  0.545082D+01 -0.155238D+02
      4   0.100126D+00 -0.119420D+01 -0.385477D+01 -0.606072D+01  0.529728D+01
      5  -0.135630D+01  0.172643D+02  0.939600D+01  0.313141D+01 -0.106463D+02
      6   0.168010D+01  0.107696D+00 -0.132763D+01 -0.275179D+01  0.109392D+01
               346           347           348           349           350 
      1  -0.699304D+01 -0.108056D+02  0.735093D+01  0.104064D+02  0.677646D+01
      2   0.508283D+01  0.141142D+01  0.715812D+01 -0.606734D+01  0.588520D+01
      3   0.191021D+01  0.939420D+01 -0.145091D+02 -0.433908D+01 -0.126617D+02
      4  -0.416605D+00 -0.174048D+02  0.182517D+02 -0.247526D+01  0.153525D+02
      5  -0.511657D+01  0.156355D+02 -0.278470D+02  0.655563D+01 -0.213564D+02
      6  -0.317616D+00 -0.732806D+01  0.856167D+01 -0.894978D+00  0.723520D+01
               351           352           353           354           355 
      1  -0.222109D+02  0.414208D+02 -0.297071D+02 -0.437003D+01 -0.328003D+02
      2  -0.166206D+02 -0.182316D+02  0.143062D+02  0.202312D+01  0.129761D+02
      3   0.388315D+02 -0.231891D+02  0.154009D+02  0.234692D+01  0.198242D+02
      4  -0.237424D+02 -0.361722D+02  0.246368D+02  0.422923D+01  0.350118D+02
      5   0.555252D+02 -0.518518D+01  0.392897D+01  0.112124D+02  0.449436D+01
      6  -0.790713D+01  0.136507D+01 -0.114051D+01 -0.989240D+00 -0.180400D+01
               356           357           358           359           360 
      1   0.165727D+02  0.347555D+01 -0.811595D+01  0.684905D+01  0.102620D+02
      2   0.254011D+01 -0.120382D+01  0.370514D+01 -0.322687D+01 -0.657315D+01
      3  -0.191128D+02 -0.227173D+01  0.441081D+01 -0.362219D+01 -0.368890D+01
      4  -0.593025D+02 -0.617062D+01  0.864156D+01 -0.740185D+01 -0.940556D+01
      5  -0.537328D+01 -0.636046D+01  0.164250D+02 -0.858012D+01 -0.578493D+01
      6   0.978017D+00  0.362117D+01 -0.181517D+01  0.481590D+01  0.104131D+01
               361           362           363           364           365 
      1  -0.506672D+02 -0.191040D+02 -0.133310D+02 -0.189996D+02 -0.126853D+02
      2   0.229445D+02  0.107894D+02 -0.428265D+01  0.960024D+01  0.471665D+01
      3   0.277226D+02  0.831456D+01  0.176137D+02  0.939940D+01  0.796866D+01
      4  -0.209467D+02 -0.945975D+01  0.472082D+00 -0.727553D+01 -0.651958D+01
      5   0.214772D+02  0.109043D+02 -0.996959D+01  0.939084D+01 -0.119585D+01
      6   0.718936D+01  0.536278D+01  0.424345D+00  0.410939D+01  0.370763D+01
               366           367           368           369           370 
      1  -0.212534D+01 -0.463210D+01 -0.316933D+00 -0.118937D+02 -0.190364D+01
      2  -0.327403D+01 -0.367826D+01 -0.255657D+01  0.466542D+01 -0.206694D+01
      3   0.539937D+01  0.831036D+01  0.287350D+01  0.722832D+01  0.397058D+01
      4  -0.609703D+01  0.155840D+01 -0.313484D+01 -0.421367D+01  0.366546D+01
      5  -0.465680D+01 -0.549047D+01 -0.375181D+01  0.536462D+01 -0.931366D+01
      6   0.555187D+01  0.438809D+00  0.324755D+01  0.117977D+01 -0.408969D+01
               371           372           373           374           375 
      1   0.496437D+01 -0.961834D+01  0.495283D+01 -0.127127D+02  0.180122D+02
      2  -0.171837D+01  0.651037D+01 -0.414884D+01  0.353892D+01  0.588902D+01
      3  -0.324599D+01  0.310797D+01 -0.803993D+00  0.917380D+01 -0.239012D+02
      4   0.442169D+01 -0.119664D+01  0.993493D+01  0.304442D+02 -0.246578D+02
      5  -0.159823D+01  0.114900D+02 -0.907793D+01 -0.262576D+02  0.370080D+02
      6  -0.139855D+01  0.273494D-01 -0.613389D+01 -0.265865D+02  0.269314D+02
               376           377           378           379           380 
      1  -0.553294D+01  0.125447D+02 -0.176346D+02  0.327573D+02 -0.171625D+02
      2   0.723898D+01  0.321702D+01 -0.139758D+02 -0.268889D+02  0.138287D+02
      3  -0.170604D+01 -0.157617D+02  0.316104D+02 -0.586845D+01  0.333383D+01
      4  -0.435360D+01 -0.179640D+02  0.220595D+02 -0.208501D+02  0.174548D+02
      5   0.147482D+02  0.224622D+02 -0.447603D+02 -0.374729D+02  0.203235D+02
      6   0.352896D+01  0.200172D+02 -0.255646D+02  0.984931D+01 -0.847709D+01
               381           382           383           384           385 
      1  -0.169096D+02 -0.234900D+02  0.105013D+02  0.997306D+01 -0.923775D+01
      2   0.222490D+02  0.192995D+02 -0.130324D+02 -0.180779D+02  0.153544D+02
      3  -0.533946D+01  0.419057D+01  0.253114D+01  0.810483D+01 -0.611662D+01
      4   0.141007D+02  0.218754D+02 -0.281922D+02 -0.247662D+02  0.948219D+01
      5   0.388606D+02  0.294202D+02 -0.291891D+02 -0.324545D+02  0.282612D+02
      6  -0.643018D+01 -0.114462D+02  0.145269D+02  0.155289D+02 -0.525971D+01
               386           387           388           389           390 
      1   0.433307D+01  0.932383D+01  0.432406D+02  0.100272D+02  0.236733D+02
      2  -0.906417D+01 -0.214670D+02 -0.179665D+02 -0.112490D+01 -0.829093D+01
      3   0.473110D+01  0.121431D+02 -0.252741D+02 -0.890231D+01 -0.153823D+02
      4  -0.138320D+02 -0.135704D+02  0.163971D+02  0.141873D+02  0.141371D+02
      5  -0.160519D+02 -0.373763D+02  0.201503D+02  0.102667D+02  0.198726D+02
      6   0.971384D+01  0.798749D+01  0.577280D+01  0.220974D+01  0.415958D+01
               391           392           393           394           395 
      1   0.102095D+02  0.138598D+02  0.112642D+02  0.473934D+02  0.170656D+02
      2   0.579749D+00 -0.116750D+01 -0.187124D+01 -0.183485D+02 -0.334580D+01
      3  -0.107892D+02 -0.126923D+02 -0.939291D+01 -0.290449D+02 -0.137198D+02
      4   0.211930D+02  0.204407D+02  0.103152D+02  0.243866D+02  0.167414D+02
      5   0.108781D+02  0.721267D+01  0.150396D+02  0.220289D+02  0.146780D+02
      6   0.131843D+01  0.156238D+01  0.626834D+01  0.497368D+01  0.536352D+01
               396           397           398           399           400 
      1   0.231970D+02  0.108338D+03 -0.318879D+02 -0.303009D+02 -0.812694D+02
      2  -0.611191D+01 -0.653740D+02  0.199628D+02  0.212362D+02  0.496510D+02
      3  -0.170851D+02 -0.429635D+02  0.119251D+02  0.906471D+01  0.316184D+02
      4   0.193196D+02 -0.226088D+02  0.163859D+02  0.699095D+01  0.273627D+02
      5   0.474007D+02 -0.408264D+02  0.119291D+02  0.256498D+02  0.317814D+02
      6   0.112217D+02  0.292958D+01 -0.223422D+01  0.664240D+00 -0.442833D+01
               401           402           403           404           405 
      1   0.296255D+02  0.238773D+02 -0.374855D+02  0.101486D+02  0.274275D+02
      2  -0.196693D+02 -0.183858D+02  0.270883D+02 -0.896778D+01 -0.201061D+02
      3  -0.995625D+01 -0.549156D+01  0.103972D+02 -0.118080D+01 -0.732141D+01
      4  -0.254661D+02 -0.142846D+02  0.635333D+01 -0.119087D+02 -0.300706D+01
      5  -0.176036D+02 -0.191745D+02  0.369856D+02 -0.617516D+01 -0.241699D+02
      6   0.358320D+01  0.359190D+01  0.168707D+01  0.409474D+01 -0.304365D+00
               406           407           408           409           410 
      1   0.981845D+01  0.747202D+01 -0.130358D+02  0.168144D+02  0.706176D+01
      2  -0.463645D+01 -0.188853D+01  0.677323D+01 -0.301461D+01  0.101087D+02
      3  -0.518200D+01 -0.558349D+01  0.626261D+01 -0.137998D+02 -0.171705D+02
      4   0.109003D+02  0.116234D+02 -0.625799D+01  0.368123D+02  0.619921D+02
      5  -0.142865D+02 -0.532224D+01  0.100902D+02 -0.189575D+02 -0.365990D+02
      6  -0.565739D+01 -0.279710D+01  0.234541D+01 -0.115927D+02 -0.245617D+02
               411           412           413           414           415 
      1   0.806682D+00 -0.254110D+02  0.731757D-01  0.695211D+01 -0.300582D+02
      2  -0.372547D+01  0.142283D+02 -0.329332D+01 -0.603924D+01  0.309309D+02
      3   0.291879D+01  0.111827D+02  0.322014D+01 -0.912869D+00 -0.872740D+00
      4  -0.358184D+02 -0.214377D+02 -0.367138D+02  0.339269D+02 -0.407430D+01
      5   0.328226D+02  0.297466D+02  0.334590D+02 -0.405654D+02  0.796618D+01
      6   0.191381D+02  0.108851D+02  0.196054D+02 -0.199640D+02  0.711622D+01
               416           417           418           419           420 
      1   0.319831D+02  0.100061D+02  0.204383D+02 -0.312644D+02 -0.112076D+02
      2  -0.342965D+02 -0.115138D+02 -0.210207D+02  0.421542D+02  0.136205D+02
      3   0.231346D+01  0.150768D+01  0.582431D+00 -0.108898D+02 -0.241294D+01
      4   0.829179D+00  0.180329D+01  0.396911D+01  0.104537D+02  0.340067D+01
      5  -0.669113D+01 -0.821803D+01 -0.534436D+01  0.946255D+01  0.399553D+01
      6  -0.523834D+01 -0.109142D+02 -0.478121D+01  0.835339D+01  0.680937D+01
               421           422           423           424           425 
      1   0.154499D+02 -0.214319D+02 -0.178272D+02  0.295196D+02  0.112678D+02
      2  -0.151268D+02  0.277385D+02  0.146989D+02  0.457823D+01  0.211316D+02
      3  -0.323018D+00 -0.630659D+01  0.312827D+01 -0.340979D+02 -0.323994D+02
      4   0.352813D+01  0.980169D+01 -0.746234D+00  0.573700D+02  0.604694D+02
      5  -0.817892D+01  0.769724D+01  0.869352D+01 -0.975230D+01 -0.104984D+02
      6  -0.104257D+02  0.106875D+02  0.111256D+02 -0.523020D+01 -0.937049D+01
               426           427           428           429           430 
      1   0.120933D+00  0.114957D+02 -0.312225D+00 -0.156473D+01  0.190126D+01
      2  -0.331517D+01  0.124857D+02  0.348048D+02 -0.599552D+00 -0.241555D+01
      3   0.319424D+01 -0.239814D+02 -0.344926D+02  0.216428D+01  0.514294D+00
      4  -0.792060D+01  0.439470D+02  0.629626D+02 -0.643528D+01 -0.316853D+01
      5   0.814093D+01 -0.789474D+01 -0.726129D+01  0.713536D+01  0.676274D+01
      6   0.683357D+01 -0.644058D+01 -0.849140D+01  0.722955D+01  0.556547D+01
               431           432           433           434           435 
      1  -0.250031D+01 -0.813062D+00 -0.139866D+02  0.118867D+02 -0.150623D+02
      2   0.335471D+01  0.331907D+01  0.757771D+01 -0.903428D+01  0.297375D+01
      3  -0.854397D+00 -0.250601D+01  0.640886D+01 -0.285246D+01  0.120885D+02
      4  -0.174266D+01  0.104237D+02 -0.140661D+01  0.121142D+01 -0.498555D+01
      5   0.962158D+01 -0.504279D+01 -0.383527D+01  0.895255D+00 -0.763387D+01
      6   0.980157D+01 -0.512281D+01 -0.839385D+01  0.446422D+01 -0.139191D+02
               436           437           438           439           440 
      1   0.261115D+01 -0.598535D+01  0.405709D+01 -0.132064D+02  0.164100D+02
      2  -0.269075D+01  0.237954D+01 -0.634447D+01  0.317513D+01 -0.139299D+02
      3   0.796017D-01  0.360582D+01  0.228738D+01  0.100312D+02 -0.248005D+01
      4   0.821161D-01 -0.248036D+01 -0.515504D+01 -0.515899D+01 -0.980674D+01
      5  -0.920926D+00 -0.515034D+01  0.118844D+01 -0.398899D+01  0.103560D+02
      6   0.689560D+00 -0.572116D+01  0.670727D+01 -0.105319D+02  0.181719D+02
               441           442           443           444           445 
      1  -0.348545D+02 -0.196765D+01  0.499528D+01  0.961696D+01  0.495536D+01
      2   0.356723D+01 -0.201351D+01 -0.172800D+01 -0.646591D+01 -0.413088D+01
      3   0.312872D+02  0.398115D+01 -0.326728D+01 -0.315105D+01 -0.824480D+00
      4  -0.639866D-01  0.364240D+01  0.434142D+01  0.114947D+01  0.985343D+01
      5  -0.346365D+02  0.924141D+01  0.156052D+01  0.113924D+02  0.900034D+01
      6  -0.403413D+02  0.408289D+01  0.134212D+01 -0.252756D-01  0.607982D+01
               446           447           448           449           450 
      1  -0.128374D+02 -0.180905D+02  0.552935D+01 -0.125927D+02 -0.176984D+02
      2   0.363387D+01 -0.584258D+01 -0.719044D+01 -0.318250D+01 -0.138867D+02
      3   0.920352D+01  0.239331D+02  0.166108D+01  0.157752D+02  0.315851D+02
      4   0.304657D+02  0.246237D+02  0.430284D+01  0.179236D+02  0.220014D+02
      5   0.261975D+02  0.369212D+02  0.146402D+02  0.223935D+02  0.445961D+02
      6   0.266235D+02  0.269348D+02  0.347993D+01  0.200152D+02  0.255366D+02
               451           452           453           454           455 
      1  -0.506128D+02 -0.191003D+02  0.132731D+02 -0.189994D+02 -0.127091D+02
      2   0.229376D+02  0.108066D+02  0.428954D+01  0.961485D+01  0.473779D+01
      3   0.276752D+02  0.829365D+01 -0.175627D+02  0.938453D+01  0.797132D+01
      4  -0.209557D+02 -0.948245D+01 -0.513276D+00 -0.730373D+01 -0.652062D+01
      5  -0.215019D+02 -0.109385D+02 -0.995656D+01 -0.942195D+01  0.117009D+01
      6  -0.720394D+01 -0.537046D+01  0.417369D+00 -0.412642D+01 -0.370675D+01
               456           457           458           459           460 
      1   0.210509D+01  0.454273D+01  0.283326D+00 -0.118690D+02  0.326874D+02
      2   0.329828D+01  0.372050D+01  0.258838D+01  0.469636D+01 -0.268698D+02
      3  -0.540337D+01 -0.826323D+01 -0.287171D+01  0.717260D+01 -0.581756D+01
      4   0.607841D+01 -0.160797D+01  0.311242D+01 -0.424131D+01 -0.207824D+02
      5  -0.468874D+01 -0.552664D+01 -0.379357D+01 -0.541551D+01  0.374776D+02
      6   0.554482D+01  0.425669D+00  0.324017D+01 -0.119026D+01 -0.982920D+01
               461           462           463           464           465 
      1  -0.170880D+02  0.168769D+02 -0.233874D+02  0.104049D+02 -0.993695D+01
      2   0.138041D+02 -0.222813D+02  0.192617D+02 -0.129948D+02  0.180968D+02
      3   0.328385D+01  0.540443D+01  0.412569D+01  0.258987D+01 -0.815982D+01
      4   0.173963D+02 -0.140982D+02  0.217863D+02 -0.281114D+02  0.247509D+02
      5  -0.203043D+02  0.389197D+02 -0.293986D+02  0.291534D+02 -0.324786D+02
      6   0.845187D+01 -0.643359D+01  0.114141D+02 -0.144935D+02  0.155324D+02
               466           467           468           469           470 
      1   0.924774D+01 -0.431781D+01  0.929308D+01  0.976991D+01  0.748222D+01
      2  -0.154011D+02  0.908187D+01 -0.215762D+02 -0.461238D+01 -0.190303D+01
      3   0.615334D+01 -0.476407D+01  0.122831D+02 -0.515753D+01 -0.557918D+01
      4  -0.948104D+01  0.138563D+02 -0.136059D+02  0.108903D+02  0.115982D+02
      5   0.283427D+02 -0.160845D+02  0.375553D+02  0.142589D+02  0.530203D+01
      6  -0.526182D+01  0.971296D+01 -0.800320D+01  0.564959D+01  0.279083D+01
               471           472           473           474           475 
      1   0.130115D+02  0.168294D+02  0.703533D+01 -0.826868D+00  0.253621D+02
      2  -0.676912D+01 -0.303826D+01  0.100975D+02  0.371913D+01 -0.142200D+02
      3  -0.624236D+01 -0.137912D+02 -0.171328D+02 -0.289226D+01 -0.111421D+02
      4   0.623014D+01  0.367930D+02  0.619919D+02  0.358388D+02  0.213951D+02
      5   0.100929D+02  0.189572D+02  0.366212D+02  0.328284D+02  0.297560D+02
      6   0.233952D+01  0.115976D+02  0.245833D+02  0.191514D+02  0.108807D+02
               476           477           478           479           480 
      1  -0.107237D+00  0.695615D+01  0.108011D+03 -0.318606D+02  0.303278D+02
      2   0.328997D+01 -0.606356D+01 -0.652121D+02  0.199480D+02 -0.212684D+02
      3  -0.318274D+01 -0.892586D+00 -0.427989D+02  0.119127D+02 -0.905938D+01
      4   0.366969D+02  0.339150D+02 -0.226338D+02  0.163719D+02 -0.702481D+01
      5   0.334443D+02  0.405823D+02  0.408626D+02 -0.119664D+02  0.256940D+02
      6   0.196063D+02  0.199688D+02 -0.294530D+01  0.223818D+01  0.654865D+00
               481           482           483           484           485 
      1  -0.811609D+02  0.296065D+02 -0.239425D+02  0.375303D+02 -0.101862D+02
      2   0.496089D+02 -0.196728D+02  0.184492D+02 -0.271425D+02  0.900191D+01
      3   0.315520D+02 -0.993366D+01  0.549338D+01 -0.103878D+02  0.118432D+01
      4   0.273824D+02 -0.255004D+02  0.143500D+02 -0.640449D+01  0.119505D+02
      5  -0.318761D+02  0.176718D+02 -0.192631D+02  0.370659D+02 -0.623073D+01
      6   0.444204D+01 -0.360229D+01  0.360967D+01  0.167458D+01  0.410374D+01
               486           487           488           489           490 
      1   0.274691D+02  0.434792D+02  0.100794D+02 -0.237418D+02  0.102364D+02
      2  -0.201742D+02 -0.180648D+02 -0.114704D+01  0.831982D+01  0.567630D+00
      3  -0.729484D+01 -0.254144D+02 -0.893240D+01  0.154220D+02 -0.108041D+02
      4  -0.305930D+01  0.164674D+02  0.142069D+02 -0.141349D+02  0.211987D+02
      5   0.243062D+02 -0.201798D+02 -0.102558D+02  0.198931D+02 -0.108699D+02
      6   0.299024D+00 -0.577297D+01 -0.219999D+01  0.415711D+01 -0.130781D+01
               491           492           493           494           495 
      1   0.138783D+02 -0.112781D+02 -0.474807D+02 -0.170716D+02  0.232536D+02
      2  -0.119463D+01  0.189002D+01  0.183847D+02  0.336187D+01 -0.614479D+01
      3  -0.126837D+02  0.938809D+01  0.290959D+02  0.137097D+02 -0.171088D+02
      4   0.203974D+02 -0.102733D+02 -0.243786D+02 -0.166948D+02  0.192618D+02
      5  -0.716796D+01  0.149791D+02  0.220338D+02  0.146132D+02 -0.473203D+02
      6  -0.154289D+01  0.624987D+01  0.496284D+01  0.534117D+01 -0.111852D+02
               496           497           498           499           500 
      1   0.156500D+03  0.140842D+01 -0.378444D+02  0.441917D+00  0.111833D+02
      2  -0.921490D+02 -0.596371D+00  0.268367D+02  0.335086D+00 -0.522063D+01
      3  -0.643513D+02 -0.812050D+00  0.110077D+02 -0.777003D+00 -0.596264D+01
      4   0.646522D+01  0.130789D+02 -0.847980D+00  0.167365D+02  0.295117D-01
      5  -0.645266D+02 -0.849746D+00  0.342488D+02  0.178756D+00 -0.699353D+01
      6  -0.197843D+01 -0.320479D+01  0.210745D+01 -0.392660D+01 -0.123809D+01
               501           502           503           504           505 
      1   0.209991D+00 -0.210885D+02  0.333075D+00  0.196113D+02  0.434477D+01
      2  -0.924474D+00  0.169133D+02 -0.220364D+01 -0.157748D+02 -0.627394D+01
      3   0.714483D+00  0.417515D+01  0.187057D+01 -0.383657D+01  0.192916D+01
      4  -0.588089D+01 -0.830922D+00 -0.871009D-01 -0.122010D+01 -0.386951D+01
      5  -0.164467D+01  0.276705D+02 -0.138153D+01 -0.171596D+02 -0.938402D+01
      6   0.313538D+01  0.228531D+01  0.167315D+01 -0.943546D-01  0.133597D+01
               506           507           508           509           510 
      1  -0.614309D+01 -0.174233D+02 -0.700483D+01 -0.107888D+02 -0.732047D+01
      2   0.698511D+00  0.194397D+01  0.509642D+01  0.140542D+01 -0.715966D+01
      3   0.544458D+01  0.154793D+02  0.190841D+01  0.938333D+01  0.144801D+02
      4  -0.605193D+01 -0.527461D+01 -0.391935D+00 -0.174238D+02 -0.182843D+02
      5  -0.311311D+01 -0.106262D+02  0.514378D+01 -0.156781D+02 -0.278672D+02
      6   0.274695D+01  0.109010D+01  0.307909D+00  0.733246D+01  0.857194D+01
               511           512           513           514           515 
      1  -0.103843D+02 -0.675577D+01 -0.221603D+02 -0.265459D+02  0.183471D+02
      2   0.607635D+01 -0.589389D+01 -0.166357D+02  0.116731D+02 -0.917502D+01
      3   0.430799D+01  0.126497D+02  0.387960D+02  0.148728D+02 -0.917209D+01
      4   0.250521D+01 -0.153872D+02 -0.237666D+02  0.174588D+01 -0.835316D-01
      5   0.659655D+01 -0.213930D+02 -0.555934D+02 -0.584936D+01  0.502538D+01
      6  -0.904438D+00  0.724727D+01  0.792690D+01 -0.108334D+02  0.874972D+01
               516           517           518           519           520 
      1  -0.300149D+02  0.757440D+01 -0.106666D+02  0.115995D+02 -0.173952D+02
      2   0.734143D+01 -0.372444D+01  0.688209D+01 -0.769066D+01  0.385416D+01
      3   0.226735D+02 -0.384996D+01  0.378450D+01 -0.390887D+01  0.135410D+02
      4   0.150444D+01  0.328761D+01  0.945779D+01 -0.917427D+01 -0.702908D+00
      5  -0.175044D+02  0.832576D+00 -0.974530D+01  0.693289D+01 -0.617565D+01
      6  -0.172315D+02  0.255695D+01 -0.108949D+02  0.116731D+02 -0.876595D+01
               521           522           523           524           525 
      1   0.162587D+02 -0.373348D+02  0.399957D+02  0.248629D+02 -0.922892D+01
      2  -0.681294D+01  0.438896D+01 -0.126472D+02 -0.426904D+00  0.392205D+01
      3  -0.944575D+01  0.329458D+02 -0.273485D+02 -0.244359D+02  0.530687D+01
      4  -0.775489D+01  0.569053D+01  0.481960D+02  0.515864D+02 -0.133288D+02
      5   0.107922D+02 -0.295730D+02 -0.210756D+02 -0.156377D+02  0.150985D+02
      6   0.143209D+02 -0.241523D+02 -0.136316D+02 -0.134966D+02  0.729196D+01
               526           527           528           529           530 
      1   0.242685D+02  0.175825D+02 -0.286322D+01 -0.645915D+00  0.210109D+01
      2   0.552940D+00  0.134619D+02 -0.121005D+01  0.732470D+00  0.101328D+00
      3  -0.248214D+02 -0.310444D+02  0.407328D+01 -0.865548D-01 -0.220242D+01
      4   0.538523D+02  0.713152D+02 -0.211821D+02 -0.216483D+01 -0.980581D+01
      5  -0.190333D+02 -0.250878D+02  0.175607D+02  0.924056D+01  0.128097D+02
      6  -0.159416D+02 -0.231670D+02  0.137980D+02  0.421527D+01  0.960036D+01
               531           532           533           534           535 
      1   0.349733D+00  0.413020D+02 -0.296580D+02  0.437212D+01 -0.327558D+02
      2   0.169859D+01 -0.181701D+02  0.142667D+02 -0.202240D+01  0.129509D+02
      3  -0.204832D+01 -0.231319D+02  0.153912D+02 -0.234972D+01  0.198049D+02
      4   0.131063D+02 -0.361363D+02  0.246481D+02 -0.425832D+01  0.350069D+02
      5  -0.753626D+01  0.519741D+01 -0.395993D+01  0.112115D+02 -0.453145D+01
      6  -0.650579D+01 -0.137963D+01  0.115226D+01 -0.991445D+00  0.181826D+01
               536           537           538           539           540 
      1   0.165805D+02 -0.350114D+01  0.811020D+01 -0.686329D+01  0.102608D+02
      2   0.252079D+01  0.121583D+01 -0.370022D+01  0.323292D+01 -0.657132D+01
      3  -0.191012D+02  0.228531D+01 -0.440999D+01  0.363036D+01 -0.368951D+01
      4  -0.592698D+02  0.620155D+01 -0.867292D+01  0.743996D+01 -0.942351D+01
      5   0.540565D+01 -0.636981D+01  0.164273D+02 -0.859573D+01  0.583158D+01
      6  -0.993699D+00  0.362859D+01 -0.182081D+01  0.482078D+01 -0.105060D+01
               541           542           543           544           545 
      1   0.295800D+02  0.113117D+02 -0.968165D-01  0.115142D+02 -0.270547D+00
      2   0.455403D+01  0.211112D+02  0.330906D+01  0.124668D+02  0.347310D+02
      3  -0.341341D+02 -0.324229D+02 -0.321224D+01 -0.239810D+02 -0.344605D+02
      4   0.574474D+02  0.605097D+02  0.794532D+01  0.439455D+02  0.629112D+02
      5   0.977147D+01  0.105025D+02  0.814854D+01  0.789499D+01  0.725279D+01
      6   0.524693D+01  0.936911D+01  0.683172D+01  0.644232D+01  0.847698D+01
               546           547           548           549           550 
      1   0.157574D+01 -0.187143D+01  0.250783D+01 -0.809609D+00 -0.299821D+02
      2   0.596389D+00  0.241553D+01 -0.333505D+01  0.332563D+01  0.308656D+02
      3  -0.217213D+01 -0.544096D+00  0.827217D+00 -0.251602D+01 -0.883488D+00
      4   0.644144D+01  0.321819D+01  0.179120D+01  0.104396D+02 -0.400144D+01
      5   0.713732D+01  0.677949D+01  0.964008D+01  0.504564D+01 -0.794148D+01
      6   0.723061D+01  0.557010D+01  0.981490D+01  0.512697D+01 -0.712413D+01
               551           552           553           554           555 
      1   0.319647D+02 -0.100306D+02  0.204182D+02 -0.312978D+02  0.112517D+02
      2  -0.342636D+02  0.115396D+02 -0.209859D+02  0.422125D+02 -0.136758D+02
      3   0.229892D+01 -0.150894D+01  0.567639D+00 -0.109146D+02  0.242412D+01
      4   0.832614D+00 -0.178425D+01  0.396874D+01  0.105297D+02 -0.342469D+01
      5   0.670201D+01 -0.822850D+01  0.534682D+01 -0.948976D+01  0.402752D+01
      6   0.527643D+01 -0.109272D+02  0.480401D+01 -0.840790D+01  0.685012D+01
               556           557           558           559           560 
      1  -0.154601D+02  0.214962D+02 -0.178817D+02 -0.140178D+02  0.119192D+02
      2   0.151350D+02 -0.278129D+02  0.147613D+02  0.759497D+01 -0.906976D+01
      3   0.325048D+00  0.631670D+01  0.312047D+01  0.642281D+01 -0.284943D+01
      4  -0.350937D+01 -0.984244D+01 -0.714192D+00 -0.142633D+01  0.119754D+01
      5  -0.818333D+01  0.774244D+01 -0.875572D+01  0.384545D+01 -0.907817D+00
      6  -0.104380D+02  0.107485D+02 -0.111962D+02  0.841713D+01 -0.447854D+01
               561           562           563           564           565 
      1   0.150938D+02  0.262789D+01 -0.600596D+01 -0.407992D+01  0.132356D+02
      2  -0.299979D+01 -0.270826D+01  0.239470D+01  0.635233D+01 -0.319327D+01
      3  -0.120940D+02  0.803775D-01  0.361126D+01 -0.227241D+01 -0.100424D+02
      4   0.499242D+01  0.781000D-01 -0.248841D+01  0.515904D+01  0.516850D+01
      5  -0.765600D+01  0.917271D+00  0.516269D+01  0.120232D+01 -0.401454D+01
      6  -0.139469D+02 -0.699130D+00  0.572931D+01  0.672761D+01 -0.105606D+02
               566           567 
      1  -0.164298D+02 -0.348418D+02
      2   0.139683D+02  0.363494D+01
      3   0.246152D+01  0.312069D+02
      4   0.982189D+01 -0.791584D-01
      5   0.103524D+02  0.345597D+02
      6   0.181754D+02  0.402772D+02

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.281600D+00      0.715755D+00      0.238750D+01
   x          0.614306D-03      0.156141D-02      0.520830D-02
   y         -0.578048D-03     -0.146925D-02     -0.490090D-02
   z          0.281598D+00      0.715751D+00      0.238749D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.327040D+03      0.484623D+02      0.539216D+02
   aniso      0.165034D+03      0.244555D+02      0.272104D+02
   xx         0.422617D+03      0.626253D+02      0.696801D+02
   yx         0.295664D+02      0.438129D+01      0.487484D+01
   yy         0.316040D+03      0.468322D+02      0.521079D+02
   zx         0.819783D-03      0.121479D-03      0.135164D-03
   zy        -0.159480D-02     -0.236325D-03     -0.262947D-03
   zz         0.242463D+03      0.359293D+02      0.399768D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.329882D+03      0.488834D+02      0.543901D+02
   aniso      0.144028D+03      0.213427D+02      0.237470D+02
   xx         0.400924D+03      0.594108D+02      0.661034D+02
   yx         0.349854D+02      0.518431D+01      0.576832D+01
   yy         0.338012D+03      0.500882D+02      0.557306D+02
   zx         0.524798D-02      0.777671D-03      0.865276D-03
   zy        -0.281672D-02     -0.417395D-03     -0.464415D-03
   zz         0.250709D+03      0.371512D+02      0.413363D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          9.64193809          0.82634766         -2.67997633
     6          8.94131852         -0.45499251         -0.14137286
     6          6.09283864         -0.78194421         -0.18776795
     6          5.07478853          1.67941234          0.10391655
     6          7.28929933          3.49088855          0.33087119
     6          8.43184582          3.48369920         -2.39967293
     6          9.21528522          1.76187317          1.78326169
     8          2.80682065          2.36898848          0.11452140
    29          0.00064734          0.00075544         -0.21011595
     8          2.18531223         -2.92433103         -0.52426852
     6          4.58751585         -2.87236453         -0.50560052
     6          5.85616276         -5.47418362         -0.81949155
     9          7.07700847         -6.14521292          1.32068438
     6          6.65944760          6.06744584          1.38106303
     6         11.87949240          2.86175388          1.95332984
     6          8.36441631          1.07745601          4.46014675
     8         -2.80607520         -2.36644341          0.11635333
     6         -5.07426084         -1.67805281          0.09164855
     6         -7.28871676         -3.48989700          0.31511114
     6         -9.22395967         -1.75596462          1.74872517
     6         -8.94076551          0.45261057         -0.18402389
     6         -6.09214815          0.78139078         -0.21624144
     6         -9.62592075         -0.84040346         -2.72110672
     6         -8.41578663         -3.49569449         -2.42201596
     6         -8.38909951         -1.05880964          4.42740784
     6        -11.88832095         -2.85706783          1.90830827
     6         -6.66267123         -6.06106854          1.38044082
     6         -4.58616759          2.87110693         -0.53604024
     6         -5.85426001          5.47103349         -0.86700849
     9         -7.08554856          6.15072730          1.26439914
     8         -2.18389664          2.92401297         -0.54390400
     9         -7.58201617          5.41609351         -2.74498484
     9         -4.19473806          7.28194012         -1.40604087
     9          4.19855265         -7.28677068         -1.35868876
     9          7.59290940         -5.42799345         -2.68940148
     1         -9.80889801         -5.00456485         -2.57462559
     1         -6.95404112         -3.87868897         -3.82111978
     1        -11.66505777         -0.95967859         -2.97975923
     1         -8.86030024          0.20698807         -4.31605956
     1        -10.02497905          2.14256562          0.24453893
     1         -6.48630852         -0.27758800          4.49743944
     1         -8.44206073         -2.71425839          5.65642529
     1         -9.66974274          0.34837240          5.22517455
     1        -12.62657273         -3.50695050          0.10463919
     1        -13.18944659         -1.43249993          2.64177765
     1        -11.92609365         -4.45461638          3.21227947
     1         -5.24512988         -7.00349250          0.21907062
     1         -8.34453426         -7.25182375          1.44010907
     1         -5.89773364         -5.91784532          3.28902073
     1          8.40795932          2.73935816          5.68080194
     1          6.46199714          0.29467582          4.52199618
     1          9.64135851         -0.32432567          5.27317443
     1         11.91082614          4.46527046          3.25014951
     1         13.17503788          1.43954242          2.70105901
     1         12.62912907          3.50265102          0.15112056
     1         11.68263767          0.94332600         -2.92709938
     1          8.88502006         -0.22771994         -4.27469273
     1          6.97832207          3.86133360         -3.80875382
     1          9.82669699          4.99113155         -2.55081817
     1         10.02169567         -2.14393503          0.30076042
     1          8.34211241          7.25694305          1.44502744
     1          5.24958757          7.00594167          0.20720718
     1          5.88328682          5.93364335          3.28576877

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.281600D+00      0.715755D+00      0.238750D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.281600D+00      0.715755D+00      0.238750D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.327040D+03      0.484623D+02      0.539216D+02
   aniso      0.165034D+03      0.244555D+02      0.272104D+02
   xx         0.422616D+03      0.626252D+02      0.696800D+02
   yx         0.295668D+02      0.438135D+01      0.487491D+01
   yy         0.316039D+03      0.468322D+02      0.521078D+02
   zx         0.333130D+00      0.493647D-01      0.549256D-01
   zy        -0.881275D-01     -0.130592D-01     -0.145303D-01
   zz         0.242464D+03      0.359295D+02      0.399769D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.329882D+03      0.488834D+02      0.543901D+02
   aniso      0.144028D+03      0.213427D+02      0.237470D+02
   xx         0.400923D+03      0.594107D+02      0.661033D+02
   yx         0.349858D+02      0.518436D+01      0.576838D+01
   yy         0.338012D+03      0.500881D+02      0.557306D+02
   zx         0.261123D+00      0.386945D-01      0.430534D-01
   zy        -0.105705D+00     -0.156638D-01     -0.174284D-01
   zz         0.250710D+03      0.371514D+02      0.413365D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-V11-14-01\Freq\UM11\Gen\C24H28Cu1F6O4(2)\PIERPA\28-Aug-20
 21\0\\#P M11/Gen Integral=(Acc2E=11,UltraFineGrid) SCF=(XQC,NoSymm,Max
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 ALL THINGS ARE POSSIBLE EXCEPT SKIING THROUGH A REVOLVING DOOR.
 Job cpu time:       6 days  2 hours 25 minutes 54.9 seconds.
 Elapsed time:       0 days 18 hours 24 minutes 50.8 seconds.
 File lengths (MBytes):  RWF=   5319 Int=      0 D2E=      0 Chk=    138 Scr=      2
 Normal termination of Gaussian 16 at Sat Aug 28 10:43:23 2021.
